SCHEMBL8090370

SCHEMBL8090370

C#CCc1ccc(COC(=O)C2C(/C=C/C(=O)OC(C)C)C2(C)C)o1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
AKR1B10 O60218 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRA2A P08913 1/20 0.32
CNR1 P21554 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8090373 1.00 CA12 (0.32) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL8090306 0.89 TDP1 (0.33) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL8089069 0.89 TDP1 (0.33) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL8096453 0.85 CYP1A2 (0.36) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL8096455 0.85 CYP1A2 (0.36) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL8822206 0.81 LMNA (0.50) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL4451472 0.81 LMNA (0.48) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL7924295 0.81 LMNA (0.50) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL11793445 0.78 TDP1 (0.39) LMNATDP1CYP1A2CYP2C19CYP3A4
SCHEMBL9406964 0.77 TDP1 (0.41) LMNATDP1CYP1A2CYP2C19CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107339-A Derivative of ester of carboxylic acid, and insecticide and insect proofing agent containing the same DAINIHON JOCHUGIKU CO., LTD. (JP) 2000-08-22 US disclosed
EP-0754674-A1 NOVEL CARBOXYLIC ESTER DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND INSECTICIDE OR INSECTIFUGE CONTAINING THE SAME DAINIHON JOCHUGIKU CO., LTD. (JP) 1997-01-22 EP disclosed