SCHEMBL4788097

SCHEMBL4788097

O=Cc1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.56
PPARG P37231 5/20 0.56
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 2/20 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
SCHEMBL9178901 0.88 MAOA (0.58) PPARAPPARGMAOAMAOBNPC1
SCHEMBL9261947 0.87 PPARG (0.49) PPARAPPARGFFAR1
SCHEMBL4748219 0.87 MAOA (0.56) PPARAPPARGMAOAMAOBNPC1
SCHEMBL4744035 0.82 PPARA (0.65) PPARAPPARGFFAR1
SCHEMBL4748241 0.82 PPARA (0.62) PPARAPPARGFFAR1
SCHEMBL8545784 0.79 PPARG (0.55) PPARAPPARG
SCHEMBL9092427 0.78 PPARG (0.45) PPARAPPARGFFAR1
SCHEMBL17894399 0.76 MAOB (0.72) MAOAMAOBNPC1RAB9A
SCHEMBL4744208 0.76 PPARG (0.59) PPARAPPARGFFAR1
SCHEMBL7152950 0.76 PPARA (0.50) PPARAPPARGMAOAMAOBNPC1

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