SCHEMBL9696342

SCHEMBL9696342

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.51
PPARA Q07869 7/20 0.51
CTRC Q99895 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
NR5A1 Q13285 1/20 0.45
ALDH2 P05091 2/20 0.43
LTA4H P09960 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
RARB P10826 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9614187 0.93 PPARG (0.55) PPARGPPARACTRCMEN1KMT2A
SCHEMBL9613979 0.90 PPARG (0.63) PPARGPPARACTRCMEN1KMT2A
SCHEMBL9614177 0.89 PPARG (0.61) PPARGPPARACTRCMEN1KMT2A
SCHEMBL9696970 0.88 PPARG (0.50) PPARGPPARACTRCMEN1KMT2A
SCHEMBL9858456 0.88 PPARG (0.50) PPARGPPARACTRCMEN1KMT2A
SCHEMBL9614051 0.88 PPARA (0.67) PPARGPPARAMEN1KMT2A
SCHEMBL9614120 0.87 PPARA (0.66) PPARGPPARACTRC
SCHEMBL9614013 0.87 PPARA (0.66) PPARGPPARACTRC
SCHEMBL9857906 0.87 PPARG (0.49) PPARGPPARACTRCMEN1KMT2A
SCHEMBL9614241 0.83 PPARG (0.50) PPARGPPARACTRCMEN1KMT2A

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