SCHEMBL4746653

SCHEMBL4746653

Cc1ccccc1-c1nc(COc2ccc(CN3CCCC[C@@H]3C(=O)O)cc2)c(C)o1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.60
PDCD1 Q15116 6/20 0.56
ALDH1A1 P00352 1/20 0.53
FFAR1 O14842 1/20 0.47

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
SCHEMBL4746655 0.92 CD274 (0.55) CD274PDCD1ALDH1A1
SCHEMBL4849509 0.92 CD274 (0.50) CD274PDCD1ALDH1A1
SCHEMBL4746214 0.91 CD274 (0.63) CD274PDCD1FFAR1
SCHEMBL4746225 0.91 CD274 (0.63) CD274PDCD1FFAR1
SCHEMBL4787741 0.89 LTA4H (0.50) CD274ALDH1A1FFAR1
SCHEMBL4744276 0.88 CD274 (0.59) CD274PDCD1ALDH1A1
SCHEMBL4747447 0.88 FFAR1 (0.60) CD274PDCD1FFAR1
SCHEMBL4746693 0.88 FFAR1 (0.60) CD274PDCD1FFAR1
SCHEMBL4746697 0.88 FFAR1 (0.60) CD274PDCD1FFAR1
SCHEMBL4743830 0.86 PPARG (0.56) CD274PDCD1FFAR1

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