SCHEMBL9696806

SCHEMBL9696806

CN(C)c1ccc(OC(CCCCOc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.63
PPARG P37231 17/20 0.63
HDAC1 Q13547 2/20 0.47

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 0.90 PPARG (0.76) PPARAPPARG
SCHEMBL9614051 0.86 PPARA (0.67) PPARAPPARG
SCHEMBL9614013 0.85 PPARA (0.66) PPARAPPARG
SCHEMBL9614120 0.85 PPARA (0.66) PPARAPPARG
SCHEMBL9858575 0.83 PPARA (0.63) PPARAPPARG
SCHEMBL9696499 0.81 PPARG (0.64) PPARAPPARG
SCHEMBL11519890 0.80 PPARG (0.51) PPARAPPARG
SCHEMBL10339334 0.78 PPARG (0.67) PPARAPPARG
SCHEMBL15199291 0.78 CTRC (0.63) PPARAPPARG
SCHEMBL6545280 0.78 PPARA (0.68) PPARAPPARG

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