SCHEMBL5377142

SCHEMBL5377142

CCOc1cc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc(OCc2csc(-c3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.45
ALDH1A1 P00352 2/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
PPARG P37231 5/20 0.40
RAB9A P51151 5/20 0.39
TP53 P04637 3/20 0.39
NPC1 O15118 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5377477 0.96 PPARA (0.46) PPARAALDH1A1FFAR1FFAR4PPARG
SCHEMBL5377257 0.93 PPARA (0.41) PPARAALDH1A1FFAR1FFAR4PPARG
SCHEMBL5397102 0.93 ALDH1A1 (0.46) PPARAALDH1A1PPARGRAB9ATP53
SCHEMBL5397120 0.91 PPARA (0.38) PPARAALDH1A1FFAR1FFAR4PPARG
SCHEMBL5385582 0.91 ALDH1A1 (0.44) PPARAALDH1A1PPARGRAB9ATP53
SCHEMBL5378986 0.88 FFAR1 (0.47) PPARAALDH1A1FFAR1FFAR4RAB9A
SCHEMBL5372114 0.86 ALDH1A1 (0.41) PPARAALDH1A1PPARGRAB9ATP53
SCHEMBL5377480 0.85 F2RL3 (0.40) PPARAALDH1A1FFAR1FFAR4PPARG
SCHEMBL5374467 0.85 FFAR1 (0.45) PPARAALDH1A1FFAR1FFAR4RAB9A
SCHEMBL5372063 0.85 ALDH1A1 (0.39) PPARAALDH1A1PPARGRAB9ATP53

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