SCHEMBL5385704

SCHEMBL5385704

Cc1oc(-c2ccco2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
PPARG P37231 9/20 0.48
PPARA Q07869 8/20 0.48
PPARD Q03181 7/20 0.47
PTPN1 P18031 5/20 0.43
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
GAA P10253 1/20 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
SCHEMBL5377287 0.92 FFAR1 (0.51) FFAR1PPARGPPARAPPARDCYP2C9
SCHEMBL5376586 0.92 FFAR1 (0.58) FFAR1PPARGPPARAGAA
SCHEMBL5384782 0.91 FFAR1 (0.61) FFAR1PPARGPPARAPPARDPTPN1
SCHEMBL5372242 0.86 FFAR1 (0.49) FFAR1PPARGPPARAPPARD
SCHEMBL5385345 0.85 PPARG (0.43) FFAR1PPARGPPARAPPARD
SCHEMBL5387534 0.84 FFAR1 (0.70) FFAR1PPARGPPARAPPARD
SCHEMBL5397181 0.83 FFAR1 (0.51) FFAR1PPARGPPARAPPARD
SCHEMBL5380318 0.83 FFAR1 (0.53) FFAR1PPARGPPARAFFAR4
SCHEMBL5380307 0.82 FFAR1 (0.64) FFAR1PPARGPPARAPPARD
SCHEMBL5376697 0.82 FFAR1 (0.65) FFAR1PPARGPPARAPPARD

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