SCHEMBL4744622

SCHEMBL4744622

Cc1oc(-c2ccccc2)nc1COc1ccc(CN2CCC2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.62
PPARG P37231 15/20 0.58
PPARA Q07869 11/20 0.58
CD274 Q9NZQ7 2/20 0.54
KDR P35968 1/20 0.51
PDCD1 Q15116 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
SCHEMBL4744615 1.00 FFAR1 (0.62) FFAR1PPARGPPARACD274KDR
SCHEMBL4746693 0.94 FFAR1 (0.60) FFAR1PPARGPPARACD274KDR
SCHEMBL4746697 0.94 FFAR1 (0.60) FFAR1PPARGPPARACD274KDR
SCHEMBL4747447 0.94 FFAR1 (0.60) FFAR1PPARGPPARACD274KDR
SCHEMBL4746225 0.94 CD274 (0.63) FFAR1PPARGPPARACD274PDCD1
SCHEMBL4746214 0.94 CD274 (0.63) FFAR1PPARGPPARACD274PDCD1
SCHEMBL4744024 0.93 FFAR1 (0.58) FFAR1PPARGPPARACD274KDR
SCHEMBL4744019 0.93 FFAR1 (0.58) FFAR1PPARGPPARACD274KDR
SCHEMBL4746273 0.93 FFAR1 (0.58) FFAR1PPARGPPARACD274KDR
SCHEMBL4747388 0.92 FFAR1 (0.59) FFAR1PPARGPPARAKDR

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 claimed