SCHEMBL4747385

SCHEMBL4747385

Cc1ccc(-c2nc(COc3ccc(CO)cc3)co2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
PPARA Q07869 9/20 0.53
PPARG P37231 8/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.44
PTGER4 P35408 1/20 0.42
PPARD Q03181 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
SCHEMBL4748452 0.88 FFAR1 (0.46) FFAR1PPARAPPARGNPC1RAB9A
SCHEMBL4788306 0.87 FFAR1 (0.53) FFAR1PPARAPPARGNPC1RAB9A
SCHEMBL4747041 0.87 FFAR1 (0.72) FFAR1PPARAPPARGCYSLTR1PTGER4
SCHEMBL4746564 0.85 PPARA (0.64) FFAR1PPARAPPARGCYSLTR1
SCHEMBL4747337 0.84 FFAR1 (0.53) FFAR1PPARAPPARGPPARD
SCHEMBL4748563 0.81 PPARG (0.49) FFAR1PPARAPPARGNPC1RAB9A
SCHEMBL15762228 0.79 HDAC1 (0.50) PPARAPPARG
SCHEMBL260484 0.76 MAOB (0.58) FFAR1NPC1RAB9APTGER4
SCHEMBL4787746 0.75 NPC1 (0.43) FFAR1PPARAPPARGNPC1RAB9A
SCHEMBL4744018 0.75 CD274 (0.51) FFAR1PPARAPPARG

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