SCHEMBL9696319

SCHEMBL9696319

CC(C)(C)c1ccc(CCCCCC(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.61
PPARA Q07869 12/20 0.61
CTRC Q99895 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
STS P08842 1/20 0.43
NR4A2 P43354 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9696474 0.95 PPARG (0.56) PPARGPPARACTRCPTGESALOX5
SCHEMBL9614213 0.95 PPARA (0.56) PPARGPPARACTRCNR1H4
SCHEMBL9696796 0.95 PPARG (0.63) PPARGPPARACTRCPTGESALOX5
SCHEMBL9614239 0.95 PPARG (0.63) PPARGPPARACTRCPTGESALOX5
SCHEMBL9614193 0.94 PPARA (0.73) PPARGPPARA
SCHEMBL9614218 0.94 PPARA (0.73) PPARGPPARA
SCHEMBL9696483 0.89 PPARA (0.81) PPARGPPARA
SCHEMBL9695333 0.87 PPARA (0.47) PPARGPPARACTRCPTGESALOX5
SCHEMBL9696797 0.87 PPARA (0.47) PPARGPPARACTRCPTGESALOX5
SCHEMBL5696326 0.85 PPARA (0.70) PPARGPPARACTRCPTGESALOX5

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