SCHEMBL5377441

SCHEMBL5377441

CCOc1nn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)cc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.49
PPARA Q07869 17/20 0.49
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5385527 0.94 PPARG (0.47) PPARGPPARAFFAR1
SCHEMBL5391988 0.92 FFAR1 (0.54) PPARGPPARAFFAR1
SCHEMBL5396711 0.92 PPARG (0.47) PPARGPPARAFFAR1KDM4E
SCHEMBL5373778 0.89 PPARG (0.49) PPARGPPARAFFAR1KDM4E
SCHEMBL5380328 0.89 FFAR1 (0.58) PPARGPPARAFFAR1KDM4E
SCHEMBL5387730 0.89 PPARG (0.38) PPARGPPARAFFAR1
SCHEMBL5372574 0.89 PPARG (0.48) PPARGPPARAFFAR1
SCHEMBL5407125 0.84 PPARG (0.49) PPARGPPARAFFAR1KDM4E
SCHEMBL5395495 0.84 FFAR1 (0.54) PPARGPPARAFFAR1
SCHEMBL5409251 0.83 PPARG (0.47) PPARGPPARAFFAR1

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