SCHEMBL5376777

SCHEMBL5376777

CCOc1cc(Cn2cc(CCC(=O)O)c(OCC)n2)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PPARG P37231 14/20 0.46
PPARA Q07869 12/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PPARD Q03181 4/20 0.42

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
SCHEMBL5374354 0.96 FFAR1 (0.52) FFAR1PPARGPPARASMN1; SMN2KDR
SCHEMBL5381174 0.95 FFAR1 (0.53) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5376634 0.94 FFAR1 (0.47) FFAR1PPARGPPARASMN1; SMN2KDR
SCHEMBL5371987 0.90 FFAR1 (0.45) FFAR1PPARGPPARASMN1; SMN2KDR
SCHEMBL5381178 0.90 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5387682 0.89 FFAR1 (0.46) FFAR1PPARGPPARASMN1; SMN2KDR
SCHEMBL5387602 0.89 KDR (0.58) FFAR1PPARGPPARAKDR
SCHEMBL5376840 0.89 FFAR1 (0.53) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5377073 0.88 FFAR1 (0.51) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5391988 0.88 FFAR1 (0.54) FFAR1PPARGPPARA

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