SCHEMBL5397282

SCHEMBL5397282

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(Cc3ccc(OCc4nc(-c5ccco5)oc4C)cc3)cc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
PPARG P37231 13/20 0.42
PPARA Q07869 12/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4851267 0.98 FFAR1 (0.46) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL4852404 0.93 FFAR1 (0.44) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL5381940 0.92 FFAR1 (0.41) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL4849050 0.91 FFAR1 (0.43) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL4852493 0.90 FFAR1 (0.42) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL4851674 0.90 PPARG (0.46) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL4848659 0.88 PPARG (0.39) FFAR1PPARGPPARA
SCHEMBL6593504 0.88 FFAR1 (0.42) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL6593508 0.88 FFAR1 (0.42) FFAR1PPARGPPARAADORA3ADORA2A
SCHEMBL4852279 0.87 PPARG (0.42) FFAR1PPARGPPARALMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed