SCHEMBL5372242

SCHEMBL5372242

COC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)cc2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
PPARG P37231 15/20 0.43
PPARA Q07869 11/20 0.43
VDR P11473 1/20 0.41
PPARD Q03181 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL5376586 0.93 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL5397311 0.92 FFAR1 (0.59) FFAR1PPARGPPARAMAPT
SCHEMBL5397444 0.88 FFAR1 (0.49) FFAR1PPARGPPARAVDRPPARD
SCHEMBL5377287 0.88 FFAR1 (0.51) FFAR1PPARGPPARAPPARDMAPT
SCHEMBL5385345 0.87 PPARG (0.43) FFAR1PPARGPPARAPPARDMAPT
SCHEMBL5381805 0.87 PPARA (0.52) FFAR1PPARGPPARAPPARDHDAC1
SCHEMBL5385704 0.86 FFAR1 (0.49) FFAR1PPARGPPARAPPARD
SCHEMBL5387534 0.84 FFAR1 (0.70) FFAR1PPARGPPARAPPARD
SCHEMBL5376745 0.83 FFAR1 (0.54) FFAR1PPARGPPARAMAPT
SCHEMBL5379347 0.83 FFAR1 (0.43) 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