SCHEMBL5376885

SCHEMBL5376885

CCOc1nn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cn2)cc1CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
PPARG P37231 17/20 0.50
PPARA Q07869 16/20 0.50
PPARD Q03181 2/20 0.44
KDR P35968 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
SCHEMBL5397494 0.94 PPARG (0.49) FFAR1PPARGPPARAKDR
SCHEMBL5381178 0.90 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5397450 0.90 FFAR1 (0.59) FFAR1PPARGPPARAPPARD
SCHEMBL5372009 0.87 FFAR1 (0.51) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5380550 0.86 FFAR1 (0.69) FFAR1PPARGPPARAKDR
SCHEMBL5377349 0.86 FFAR1 (0.55) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5387602 0.86 KDR (0.58) FFAR1PPARGPPARAKDR
SCHEMBL5376840 0.85 FFAR1 (0.53) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5382054 0.85 PPARG (0.49) FFAR1PPARGPPARAKDR
SCHEMBL5391988 0.84 FFAR1 (0.54) FFAR1PPARGPPARA

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 3 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