SCHEMBL5385665

SCHEMBL5385665

COc1nn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1CCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.68
PPARG P37231 17/20 0.54
PPARA Q07869 14/20 0.54
MAPT P10636 1/20 0.48
KDR P35968 1/20 0.48
PPARD Q03181 1/20 0.47

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
SCHEMBL5381178 0.93 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5410288 0.93 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5376948 0.93 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5371853 0.92 FFAR1 (0.56) FFAR1PPARGPPARAMAPTKDR
SCHEMBL5392018 0.91 FFAR1 (0.65) FFAR1PPARGPPARAPPARD
SCHEMBL5381147 0.91 FFAR1 (0.65) FFAR1PPARGPPARAPPARD
SCHEMBL5373807 0.90 FFAR1 (0.62) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5377260 0.90 FFAR1 (0.70) FFAR1PPARGPPARAPPARD
SCHEMBL5387534 0.90 FFAR1 (0.70) FFAR1PPARGPPARAPPARD
SCHEMBL5376961 0.90 FFAR1 (0.65) FFAR1PPARGPPARAMAPT

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