SCHEMBL4748002

SCHEMBL4748002

O=C(O)C1CCCN1Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.50
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
PDCD1 Q15116 3/20 0.50
FFAR1 O14842 3/20 0.49
GAA P10253 1/20 0.44
SCN3A Q9NY46 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GYS1 P13807 1/20 0.43
LTA4H P09960 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4748001 1.00 CD274 (0.50) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4744385 0.97 CD274 (0.54) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4746706 0.92 CD274 (0.46) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4746710 0.92 CD274 (0.46) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4744478 0.91 LTA4H (0.55) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4744672 0.91 FFAR1 (0.58) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4744667 0.91 FFAR1 (0.58) CD274PPARGPPARAPDCD1FFAR1
SCHEMBL4748386 0.90 CD274 (0.53) CD274PPARGPPARAPDCD1SPHK1
SCHEMBL4748382 0.90 CD274 (0.53) CD274PPARGPPARAPDCD1SPHK1
SCHEMBL4744017 0.90 PPARG (0.53) CD274PPARGPPARAPDCD1FFAR1

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