SCHEMBL9696970

SCHEMBL9696970

Cc1ccc(OC(CCCCOc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
PPARA Q07869 8/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
PTGES O14684 2/20 0.47
ALOX5 P09917 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTRC Q99895 1/20 0.45
HTT P42858 1/20 0.44
RARB P10826 1/20 0.42
FAAH O00519 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL9857906 0.99 PPARG (0.49) PPARGPPARAKDM4ESMN1; SMN2DRD2
SCHEMBL9614187 0.92 PPARG (0.55) PPARGPPARAPTGESALOX5MEN1
SCHEMBL9613979 0.89 PPARG (0.63) PPARGPPARADRD2DRD4DRD3
SCHEMBL9696342 0.88 PPARG (0.51) PPARGPPARAPTGESALOX5MEN1
SCHEMBL9614177 0.88 PPARG (0.61) PPARGPPARADRD2DRD4DRD3
SCHEMBL9614051 0.87 PPARA (0.67) PPARGPPARADRD2DRD4DRD3
SCHEMBL9858456 0.87 PPARG (0.50) PPARGPPARAPTGESALOX5MEN1
SCHEMBL9614120 0.86 PPARA (0.66) PPARGPPARADRD2DRD4DRD3
SCHEMBL9614013 0.86 PPARA (0.66) PPARGPPARADRD2DRD4DRD3
SCHEMBL9614241 0.82 PPARG (0.50) PPARGPPARASMN1; SMN2PTGESALOX5

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