SCHEMBL9856031

SCHEMBL9856031

CC#CCOC(=O)C(c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 10/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 1/20 0.39
PMP22 Q01453 2/20 0.38
LMNA P02545 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL9855897 0.84 FFAR2 (0.41) FFAR2ATML3MBTL1CYP3A4CYP1A2
SCHEMBL10797148 0.81 FFAR2 (0.49) FFAR2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11112490 0.72 FFAR2 (0.50) FFAR2ATML3MBTL1CYP3A4CYP1A2
SCHEMBL8170317 0.71 FFAR2 (0.49) FFAR2ATML3MBTL1CYP3A4CYP1A2
SCHEMBL22758110 0.71 FFAR2 (0.49) FFAR2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2431670 0.71 FFAR2 (0.49) FFAR2ATML3MBTL1CYP3A4CYP1A2
SCHEMBL9855864 0.71 FFAR2 (0.49) FFAR2ATML3MBTL1CYP3A4CYP1A2
SCHEMBL10792700 0.70 ALDH1A1 (0.43) CYP3A4CYP2D6LMNAMMP1MMP2
SCHEMBL10793137 0.67 TAS1R3 (0.41) LMNAPPARAMEN1ALDH1A1KMT2A
SCHEMBL10796119 0.66 CSNK2A1 (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066675-A Alkynyl substituent, agricultural use SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-19 US disclosed
EP-0261072-B1 SUBSTITUTED PHENYL ACID ESTERS, THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-16 EP disclosed
EP-0261072-A1 Substituted phenyl acid esters, their preparation and their use as insecticides and acaricides SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-23 EP disclosed