SCHEMBL9696797

SCHEMBL9696797

Cc1cc(CCCCCC(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.47
PPARG P37231 13/20 0.47
CTRC Q99895 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
ALDH2 P05091 1/20 0.37

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
SCHEMBL9695333 0.89 PPARA (0.47) PPARAPPARGCTRCSMN1; SMN2PTGES
SCHEMBL9696452 0.89 PPARG (0.51) PPARAPPARGCTRCSMN1; SMN2PTGES
SCHEMBL9696319 0.87 PPARG (0.61) PPARAPPARGCTRCSMN1; SMN2PTGES
SCHEMBL9696474 0.85 PPARG (0.56) PPARAPPARGCTRCPTGESALOX5
SCHEMBL9614239 0.85 PPARG (0.63) PPARAPPARGCTRCPTGESALOX5
SCHEMBL9696796 0.85 PPARG (0.63) PPARAPPARGCTRCPTGESALOX5
SCHEMBL9614213 0.83 PPARA (0.56) PPARAPPARGCTRCNR1H4
SCHEMBL9614193 0.82 PPARA (0.73) PPARAPPARG
SCHEMBL9614218 0.82 PPARA (0.73) PPARAPPARG
SCHEMBL9695306 0.80 PPARG (0.53) PPARAPPARGCTRCPTGESALOX5

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