Compound 40
Smiles:
OC(COc1cccc2c1CCC(=O)N2)CNC(C)(C)C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| FFAR1 |
4PHU |
A |
1 |
-9.77926 |
| SULT1A3 |
2A3R |
A |
0 |
-9.39819 |
| RRP8 |
2ZFU |
A |
0 |
-9.37342 |
| NNMT |
2IIP |
A |
0 |
-9.36242 |
| KDM4C |
4XDO |
A |
0 |
-9.327630000000001 |
| HPRT1 |
1BZY |
A |
0 |
-9.28461 |
| CYP1A1 |
4I8V |
A |
0 |
-9.245230000000001 |
| MAP3K8 |
4Y85 |
A |
0 |
-9.233830000000001 |
| ADRB2 |
4GBR |
A |
0 |
-9.228480000000001 |
| ECI1 |
1SG4 |
B |
0 |
-9.134260000000001 |
| ALB |
1N5U |
A |
4 |
-9.12963 |
| KDM5B |
5A3N |
A |
0 |
-9.10543 |
| GGCT |
3CRY |
A |
0 |
-9.09985 |
| PAH |
1MMK |
A |
0 |
-9.09869 |
| B2M |
4IIQ |
C |
1 |
-9.05798 |
| NPC1 |
3GKH |
A |
0 |
-9.02334 |
| NT5E |
4H2I |
A |
0 |
-9.022969999999999 |
| HMGCS2 |
2WYA |
A |
0 |
-9.01702 |
| RAB1B |
3NKV |
A |
0 |
-9.01145 |
| CAT |
1DGH |
C |
1 |
-9.01043 |
| TNKS2 |
4HYF |
A |
0 |
-9.00337 |
| POLG |
3IKM |
D |
1 |
-9.001660000000001 |
| AKR1C2 |
1XJB |
A |
0 |
-8.98404 |
| VDR |
3AZ3 |
A |
0 |
-8.9716 |
| POLG |
3IKM |
D |
3 |
-8.9709 |
| PROCR |
1LQV |
B |
0 |
-8.95406 |
| NT5C2 |
2XCW |
A |
1 |
-8.94314 |
| GNAI1 |
3UMS |
A |
1 |
-8.93016 |
| CLK1 |
1Z57 |
A |
0 |
-8.92385 |
| TYK2 |
4PO6 |
A |
0 |
-8.91573 |
| KDM1A |
2IW5 |
A |
0 |
-8.909410000000001 |
| DCK |
1P60 |
A |
0 |
-8.8909 |
| HSPA1A |
3AY9 |
A |
0 |
-8.881839999999999 |
| KIF11 |
4BXN |
A |
0 |
-8.828510000000001 |
| HSD17B4 |
1IKT |
A |
0 |
-8.82692 |
| GABBR1 |
4MS4 |
A |
0 |
-8.81307 |
| NR1H3 |
3IPU |
A |
0 |
-8.80529 |
| DHRS4 |
3O4R |
A |
0 |
-8.798960000000001 |
| SUOX |
1MJ4 |
A |
0 |
-8.789819999999999 |
| HINT1 |
3TW2 |
A |
0 |
-8.78636 |
| CDK1 |
4Y72 |
A |
0 |
-8.78153 |
| MMP2 |
1CK7 |
A |
0 |
-8.77943 |
| RARB |
4DM8 |
B |
1 |
-8.77567 |
| CCNB1 |
4Y72 |
B |
0 |
-8.7516 |
| MGLL |
3PE6 |
A |
0 |
-8.72237 |
| ALB |
1N5U |
A |
1 |
-8.71337 |
| ETFB |
1EFV |
B |
0 |
-8.70637 |
| CDK6 |
1XO2 |
B |
0 |
-8.70375 |
| ANXA5 |
1ANX |
A |
0 |
-8.69267 |
| TKT |
4KXV |
A |
1 |
-8.6777 |
| LDHA |
4JNK |
B |
1 |
-8.67089 |
| RAB5A |
1N6O |
A |
1 |
-8.65853 |
| NMT1 |
3IU1 |
B |
0 |
-8.64503 |
| RAMP1 |
4RWG |
B |
0 |
-8.63879 |
| HSD17B4 |
1ZBQ |
A |
0 |
-8.62416 |
| PARP1 |
1UK0 |
A |
0 |
-8.616430000000001 |
| HSPA2 |
3I33 |
A |
0 |
-8.60233 |
| BRAF |
4H58 |
C |
0 |
-8.60186 |
| HPGD |
2GDZ |
A |
0 |
-8.58952 |
| PDE4D |
3G58 |
D |
0 |
-8.58383 |
| PARP1 |
4ZZZ |
A |
0 |
-8.583680000000001 |
| NOS3 |
3EAH |
B |
0 |
-8.569360000000001 |
| TOP1 |
1RR8 |
C |
0 |
-8.56734 |
| PARP10 |
3HKV |
A |
0 |
-8.54251 |
| GNE |
2YHW |
A |
0 |
-8.54222 |
| LDLR |
1N7D |
A |
0 |
-8.53916 |
| CFD |
2XW9 |
A |
0 |
-8.53525 |
| MTAP |
3OZC |
A |
0 |
-8.53166 |
| CBS |
4COO |
A |
0 |
-8.52898 |
| DTYMK |
1E2F |
A |
0 |
-8.51896 |
| RAB21 |
1Z08 |
C |
0 |
-8.51865 |
| APOM |
2WEW |
A |
0 |
-8.513010000000001 |
| TOP1 |
1SEU |
A |
0 |
-8.504610000000001 |
| RAN |
4HAT |
A |
0 |
-8.48066 |
| RAB11A |
2HV8 |
A |
0 |
-8.47246 |
| TEAD1 |
3KYS |
C |
0 |
-8.46397 |
| TH |
2XSN |
D |
0 |
-8.46242 |
| TGFBR1 |
3HMM |
A |
0 |
-8.46137 |
| KDM4B |
4LXL |
A |
0 |
-8.458789999999999 |
| GYG1 |
3T7M |
A |
0 |
-8.45762 |
| LDLR |
1IJQ |
A |
0 |
-8.45552 |
| ABL1 |
2FO0 |
A |
0 |
-8.45304 |
| EP300 |
4PZS |
A |
0 |
-8.452689999999999 |
| ERO1L |
3AHR |
A |
1 |
-8.44774 |
| CDK16 |
3MTL |
A |
0 |
-8.436069999999999 |
| TRAP1 |
4Z1I |
B |
0 |
-8.42705 |
| OXCT1 |
3DLX |
A |
0 |
-8.42446 |
| PYGL |
3DDS |
A |
0 |
-8.417760000000001 |
| RXRA |
4J5X |
D |
1 |
-8.41648 |
| RARB |
4DM6 |
A |
0 |
-8.41291 |
| METAP2 |
2OAZ |
A |
0 |
-8.41031 |
| TEAD2 |
3L15 |
B |
0 |
-8.40987 |
| PARP2 |
3KCZ |
A |
0 |
-8.40901 |
| COMT |
4PYK |
A |
0 |
-8.4081 |
| ADRB2 |
3PDS |
A |
0 |
-8.40306 |
| PFKFB3 |
2AXN |
A |
1 |
-8.39602 |
| HNMT |
2AOT |
A |
0 |
-8.3958 |
| ACADS |
2VIG |
E |
0 |
-8.388 |
| PLA2G2A |
1KVO |
A |
0 |
-8.38769 |
| GCDH |
1SIQ |
A |
0 |
-8.38009 |
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