SCHEMBL4746697

SCHEMBL4746697

Cc1oc(-c2ccccc2)nc1COc1ccc(CN2CCCC2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
CD274 Q9NZQ7 4/20 0.59
PPARG P37231 10/20 0.56
PPARA Q07869 7/20 0.56
PDCD1 Q15116 3/20 0.54
GYS1 P13807 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL4746693 1.00 FFAR1 (0.60) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4747447 1.00 FFAR1 (0.60) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4744019 0.98 FFAR1 (0.58) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4744024 0.98 FFAR1 (0.58) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4746273 0.98 FFAR1 (0.58) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4746214 0.97 CD274 (0.63) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4746225 0.97 CD274 (0.63) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4744622 0.94 FFAR1 (0.62) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4744615 0.94 FFAR1 (0.62) FFAR1CD274PPARGPPARAPDCD1
SCHEMBL4743758 0.94 PPARG (0.57) FFAR1CD274PPARGPPARAPDCD1

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