SCHEMBL8096455

SCHEMBL8096455

C#CCc1cc(COC(=O)C2C(C=CC(=O)OC(C)C)C2(C)C)c(C)o1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 2/20 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
CA12 O43570 1/20 0.30
AKR1B10 O60218 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
AKR1B1 P15121 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL8096453 1.00 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8082120 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8082118 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8090370 0.85 CA12 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8090373 0.85 CA12 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9428195 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5693099 0.75 PTGER4 (0.34)
SCHEMBL8089069 0.73 TDP1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8090306 0.73 TDP1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8090345 0.71 LMNA (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138752-C Carboxylic ester derivative, process for producing the same, and insecticide/insect repellent containing the same �ձ�������ʽ���� 2004-02-18 CN disclosed
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
CN-1148379-A Novel carboxylic ester derivatives, process for producing same, and insecticide or insectifuge contg. same DAINIPPON JOCHUGIKU KK (JP) 1997-04-23 CN 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