SCHEMBL4744035

SCHEMBL4744035

OCc1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.65
PPARG P37231 9/20 0.65
KDR P35968 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
FFAR1 O14842 3/20 0.44
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL4748241 0.89 PPARA (0.62) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL4747337 0.86 FFAR1 (0.53) PPARAPPARGFFAR1
SCHEMBL4747894 0.86 PPARA (0.62) PPARAPPARGKDRGPBAR1CYSLTR1
SCHEMBL4746564 0.85 PPARA (0.64) PPARAPPARGKDRGPBAR1CYSLTR1
SCHEMBL4788097 0.82 PPARA (0.56) PPARAPPARGFFAR1
SCHEMBL4743964 0.78 PPARA (0.57) PPARAPPARG
SCHEMBL4743974 0.78 PPARA (0.57) PPARAPPARG
SCHEMBL4744522 0.77 PPARA (0.56) PPARAPPARG
SCHEMBL4746718 0.77 FFAR1 (0.50) PPARAPPARGFFAR1
SCHEMBL5512060 0.77 MAOB (0.63) MRGPRX4

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