SCHEMBL5372174

SCHEMBL5372174

Cc1oc(-c2cccs2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
PPARA Q07869 15/20 0.56
PPARG P37231 15/20 0.49
PPARD Q03181 3/20 0.49
KDM4E B2RXH2 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
SCHEMBL5382421 0.90 FFAR1 (0.71) FFAR1PPARAPPARGPPARD
SCHEMBL5380622 0.85 FFAR1 (0.57) FFAR1PPARAPPARGPPARDKDM4E
SCHEMBL5387848 0.85 FFAR1 (0.59) FFAR1PPARAPPARGPPARD
SCHEMBL5380833 0.85 FFAR1 (0.65) FFAR1PPARAPPARGPPARD
SCHEMBL5372185 0.84 PPARG (0.61) FFAR1PPARAPPARGPPARD
SCHEMBL5377238 0.83 FFAR1 (0.65) FFAR1PPARAPPARGPPARD
SCHEMBL5397157 0.83 FFAR1 (0.59) FFAR1PPARAPPARGPPARD
SCHEMBL5382440 0.82 FFAR1 (0.62) FFAR1PPARAPPARGPPARD
SCHEMBL5386412 0.82 FFAR1 (0.51) FFAR1
SCHEMBL5385312 0.81 FFAR1 (0.47) FFAR1PPARAKDM4E

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