SCHEMBL5380800

SCHEMBL5380800

CCOC(=O)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1-c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.53
FFAR1 O14842 1/20 0.51
PPARG P37231 15/20 0.49
PPARD Q03181 3/20 0.43
MAPT P10636 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
SCHEMBL5380963 0.93 FFAR1 (0.54) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL7547493 0.87 PPARA (0.54) PPARAFFAR1PPARGPPARD
SCHEMBL5397484 0.86 FFAR1 (0.48) PPARAFFAR1PPARGMAPT
SCHEMBL5378969 0.86 FFAR1 (0.54) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL6829766 0.86 FFAR1 (0.50) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL5385889 0.86 FFAR1 (0.57) PPARAFFAR1PPARG
SCHEMBL5387616 0.85 FFAR1 (0.50) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL5379449 0.85 FFAR1 (0.51) PPARAFFAR1PPARGPPARD
SCHEMBL5379443 0.85 PPARA (0.55) PPARAFFAR1PPARGPPARD
SCHEMBL5382440 0.85 FFAR1 (0.62) PPARAFFAR1PPARGPPARD

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