SCHEMBL4747337

SCHEMBL4747337

OCc1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.53
PPARG P37231 8/20 0.52
PPARA Q07869 7/20 0.52
PPARD Q03181 4/20 0.46
SPHK2 Q9NRA0 1/20 0.44
SMPD1 P17405 1/20 0.43
MAOB P27338 3/20 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
SCHEMBL4748565 0.88 PPARG (0.60) FFAR1PPARGPPARAPPARDSPHK2
SCHEMBL4746718 0.88 FFAR1 (0.50) FFAR1PPARGPPARAPPARDSMPD1
SCHEMBL9264706 0.87 PPARG (0.51) FFAR1PPARGPPARAPPARDSPHK2
SCHEMBL4744035 0.86 PPARA (0.65) FFAR1PPARGPPARA
SCHEMBL4747385 0.84 FFAR1 (0.56) FFAR1PPARGPPARAPPARD
SCHEMBL4747041 0.84 FFAR1 (0.72) FFAR1PPARGPPARA
SCHEMBL9261947 0.82 PPARG (0.49) FFAR1PPARGPPARAPPARDSPHK2
SCHEMBL9089772 0.82 PPARG (0.53) FFAR1PPARGPPARAPPARDSMPD1
SCHEMBL9261466 0.82 PPARG (0.47) FFAR1PPARGPPARAPPARDSPHK2
SCHEMBL9261471 0.82 PPARG (0.47) FFAR1PPARGPPARAPPARDSPHK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed