SCHEMBL11041480

SCHEMBL11041480

CCOC(=O)CCCCCCCc1ccc(C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.57
CYP4A11 Q02928 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TBXAS1 P24557 1/20 0.43
CYP4Z1 Q86W10 2/20 0.43
NLRP3 Q96P20 1/20 0.43
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
GSTP1 P09211 1/20 0.41
CYP4F11 Q9HBI6 1/20 0.41

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
SCHEMBL14849146 0.88 CYP4F2 (0.55) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP1A2
SCHEMBL11037488 0.86 CYP4F2 (0.45) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP1A2
SCHEMBL3925096 0.82 CYP4F2 (0.52) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6665889 0.81 SMN1; SMN2 (0.45) CYP4F2CYP4A11SMN1; SMN2ALDH1A1TSHR
SCHEMBL11286813 0.81 F13A1 (0.56) TSHRHSD17B10
SCHEMBL3925297 0.81 F13A1 (0.56) TSHRHSD17B10
SCHEMBL10733546 0.81 SMN1; SMN2 (0.43) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP1A2
SCHEMBL5753531 0.80 CYP4F2 (0.75) CYP4F2CYP4A11SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6207355 0.80 F13A1 (0.53) TSHRHSD17B10
SCHEMBL28556266 0.79 ELANE (0.47) SMN1; SMN2TDP1DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038343-B1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-27 EP disclosed
US-4334089-A HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0051077-A1 Substituted oxocarboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-05-12 EP disclosed
EP-0038343-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1981-10-28 EP disclosed
WO-1981001285-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS,PROCESS FOR THE PREPARATION THEREOF,USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-05-14 WO disclosed