SCHEMBL9696307

SCHEMBL9696307

CCCCc1ccc(OC(CCCCCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.78
PPARG P37231 18/20 0.78
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
CTRC Q99895 1/20 0.51

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
SCHEMBL9696467 0.94 PPARA (0.89) PPARAPPARG
SCHEMBL15199289 0.91 PPARA (0.70) PPARAPPARGPTGESALOX5CTRC
SCHEMBL27689995 0.91 PPARA (0.70) PPARAPPARGPTGESALOX5CTRC
SCHEMBL5696326 0.91 PPARA (0.70) PPARAPPARGPTGESALOX5CTRC
SCHEMBL9695316 0.90 PPARA (0.78) PPARAPPARG
SCHEMBL10419185 0.90 PPARA (0.78) PPARAPPARG
SCHEMBL9695302 0.90 PPARA (0.78) PPARAPPARG
SCHEMBL9697457 0.90 PPARA (0.78) PPARAPPARG
SCHEMBL28472645 0.90 PPARA (0.65) PPARAPPARGPTGESALOX5CTRC
SCHEMBL6545280 0.90 PPARA (0.68) PPARAPPARGCTRC

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