SCHEMBL4746706

SCHEMBL4746706

Cc1ccc(-c2nc(CCOc3ccc(CN4CCC[C@@H]4C(=O)O)cc3)co2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.46
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
HRH3 Q9Y5N1 2/20 0.43
CHEK2 O96017 1/20 0.42
PDCD1 Q15116 3/20 0.42
FFAR1 O14842 1/20 0.41
NAMPT P43490 1/20 0.40
S1PR1 P21453 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.39
LTA4H P09960 2/20 0.39

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
SCHEMBL4746710 1.00 CD274 (0.46) CD274PPARGPPARAHRH3CHEK2
SCHEMBL4748001 0.92 CD274 (0.50) CD274PPARGPPARAHRH3PDCD1
SCHEMBL4748002 0.92 CD274 (0.50) CD274PPARGPPARAHRH3PDCD1
SCHEMBL4747354 0.92 LTA4H (0.48) CD274PPARGPPARAHRH3CHEK2
SCHEMBL4744018 0.91 CD274 (0.51) CD274PPARGPPARAHRH3PDCD1
SCHEMBL4814177 0.91 CD274 (0.51) CD274PPARGPPARAHRH3PDCD1
SCHEMBL4746750 0.90 CD274 (0.50) CD274PPARGPPARAPDCD1
SCHEMBL4746755 0.90 CD274 (0.50) CD274PPARGPPARAPDCD1
SCHEMBL4744385 0.90 CD274 (0.54) CD274PPARGPPARAHRH3PDCD1
SCHEMBL4744017 0.89 PPARG (0.53) CD274PPARGPPARAHRH3PDCD1

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