SCHEMBL5377477

SCHEMBL5377477

O=C(O)CCc1cn(Cc2cc(OCc3csc(-c4ccccc4)n3)cc(OCc3csc(-c4ccccc4)n3)c2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
RAB9A P51151 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
FFAR1 O14842 4/20 0.40
FFAR4 Q5NUL3 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 2/20 0.39

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
SCHEMBL5377142 0.96 PPARA (0.45) PPARARAB9AGAAMAPTPPARG
SCHEMBL5378986 0.92 FFAR1 (0.47) PPARARAB9AMAPTFFAR1FFAR4
SCHEMBL5385582 0.90 ALDH1A1 (0.44) PPARARAB9AGAAMAPTPPARG
SCHEMBL5377257 0.89 PPARA (0.41) PPARARAB9AMAPTPPARGL3MBTL1
SCHEMBL5374467 0.89 FFAR1 (0.45) PPARARAB9AMAPTL3MBTL1NPC1
SCHEMBL5397102 0.88 ALDH1A1 (0.46) PPARARAB9AGAAMAPTPPARG
SCHEMBL5384867 0.88 PPARA (0.39) PPARAPPARGFFAR1PTGER4PTGER3
SCHEMBL5377480 0.87 F2RL3 (0.40) PPARAPPARGKDM4EFFAR1FFAR4
SCHEMBL5397120 0.87 PPARA (0.38) PPARARAB9AMAPTPPARGNPC1
SCHEMBL5377468 0.86 TP53 (0.44) PPARAMAPTKDM4EFFAR1FFAR4

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