SCHEMBL5331355

SCHEMBL5331355

CCCCCCC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.59
PPARG P37231 7/20 0.56
PPARA Q07869 5/20 0.56
PTGES O14684 4/20 0.56
ALOX5 P09917 4/20 0.56
PPARD Q03181 1/20 0.55
LPAR1 Q92633 2/20 0.53
LPAR3 Q9UBY5 2/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
ENPP2 Q13822 1/20 0.53
FOLH1 Q04609 1/20 0.51
MAOB P27338 1/20 0.50

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
SCHEMBL7632753 0.95 PPARG (0.61) CTRCPPARGPPARAPTGESALOX5
SCHEMBL6939260 0.95 PPARG (0.61) CTRCPPARGPPARAPTGESALOX5
SCHEMBL5324219 0.90 LTA4H (0.55) CTRCPPARGPPARAALOX5PPARD
SCHEMBL6716294 0.90 PPARA (0.60) PPARGPPARAPTGESALOX5PPARD
SCHEMBL29779565 0.89 MMP2 (0.63) CTRCPPARGPPARAPTGESALOX5
SCHEMBL22367637 0.89 MMP2 (0.63) CTRCPPARGPPARAPTGESALOX5
SCHEMBL10955140 0.87 FOLH1 (0.66) PPARGPTGESALOX5MMP2MMP3
SCHEMBL3242850 0.87 FOLH1 (0.66) PPARGPTGESALOX5MMP2MMP3
SCHEMBL10957172 0.87 FOLH1 (0.66) PPARGPTGESALOX5MMP2MMP3
SCHEMBL9209348 0.87 FOLH1 (0.66) PPARGPTGESALOX5MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed