SCHEMBL9696348

SCHEMBL9696348

Cc1ccc(OC(CCCCOc2ccccc2Cl)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.52
PPARA Q07869 14/20 0.52
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTRC Q99895 1/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL9613979 0.85 PPARG (0.63) PPARGPPARAL3MBTL1TDP1MEN1
SCHEMBL9614177 0.84 PPARG (0.61) PPARGPPARAL3MBTL1TDP1MEN1
SCHEMBL9614051 0.83 PPARA (0.67) PPARGPPARAMEN1KMT2ANPC1
SCHEMBL9614187 0.82 PPARG (0.55) PPARGPPARAL3MBTL1MEN1KMT2A
SCHEMBL9614013 0.81 PPARA (0.66) PPARGPPARACTRCNPC1
SCHEMBL9614120 0.81 PPARA (0.66) PPARGPPARACTRCNPC1
SCHEMBL9696970 0.80 PPARG (0.50) PPARGPPARAL3MBTL1MEN1KMT2A
SCHEMBL9857906 0.79 PPARG (0.49) PPARGPPARAL3MBTL1MEN1KMT2A
SCHEMBL9696342 0.79 PPARG (0.51) PPARGPPARAMAPTL3MBTL1MEN1
SCHEMBL9614241 0.78 PPARG (0.50) PPARGPPARAL3MBTL1MEN1KMT2A

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