SCHEMBL5372009

SCHEMBL5372009

CCOc1nn(Cc2cccc(OCc3nc(-c4ccccc4)oc3C)n2)cc1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
PPARG P37231 16/20 0.43
PPARA Q07869 15/20 0.43
KDR P35968 1/20 0.42
PPARD Q03181 6/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5385871 0.94 FFAR1 (0.43) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5380727 0.87 FFAR1 (0.50) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5391988 0.87 FFAR1 (0.54) FFAR1PPARGPPARA
SCHEMBL5376885 0.87 FFAR1 (0.56) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5376840 0.86 FFAR1 (0.53) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5377073 0.86 FFAR1 (0.51) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5381178 0.85 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5387602 0.85 KDR (0.58) FFAR1PPARGPPARAKDR
SCHEMBL5376777 0.83 FFAR1 (0.54) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5380550 0.82 FFAR1 (0.69) 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