SCHEMBL9696499

SCHEMBL9696499

N#Cc1ccc(OC(CCCCOc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.64
PPARA Q07869 17/20 0.64
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9858489 0.91 PPARG (0.76) PPARGPPARA
SCHEMBL10419456 0.87 PPARA (0.73) PPARGPPARA
SCHEMBL9614051 0.85 PPARA (0.67) PPARGPPARA
SCHEMBL9614120 0.84 PPARA (0.66) PPARGPPARA
SCHEMBL9614013 0.84 PPARA (0.66) PPARGPPARA
SCHEMBL9858575 0.81 PPARA (0.63) PPARGPPARA
SCHEMBL9696806 0.81 PPARA (0.63) PPARGPPARA
SCHEMBL1139006 0.80 PPARG (0.50) PPARGPPARAALDH1A1MAPT
SCHEMBL10339334 0.79 PPARG (0.67) PPARGPPARA
SCHEMBL6254262 0.78 CTRC (0.54) PPARGPPARAMMP2MMP3ALDH1A1

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
WO-1992017435-A1 OPTICALLY ACTIVE CARBOXYLIC ACIDS AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-15 WO disclosed
EP-0507238-A1 Optically active carboxylic acids and medicinal preparations containing them Roche Diagnostics GmbH (DE) 1992-10-07 EP disclosed