SCHEMBL5380328

SCHEMBL5380328

CCOc1nn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
PPARG P37231 14/20 0.53
PPARA Q07869 14/20 0.53
KDM4E B2RXH2 1/20 0.47
KDR P35968 1/20 0.46

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
SCHEMBL5382729 0.93 FFAR1 (0.54) FFAR1PPARGPPARAKDR
SCHEMBL5396849 0.93 FFAR1 (0.58) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL5381178 0.92 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5377441 0.89 PPARG (0.49) FFAR1PPARGPPARAKDM4E
SCHEMBL5396924 0.89 FFAR1 (0.61) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL5371978 0.89 FFAR1 (0.57) FFAR1PPARGPPARAKDR
SCHEMBL5392018 0.85 FFAR1 (0.65) FFAR1PPARGPPARA
SCHEMBL5392086 0.85 PPARG (0.57) FFAR1PPARGPPARA
SCHEMBL5380550 0.85 FFAR1 (0.69) FFAR1PPARGPPARAKDR
SCHEMBL5376948 0.85 FFAR1 (0.67) 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 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