SCHEMBL5397102

SCHEMBL5397102

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
PPARA Q07869 4/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 6/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 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
SCHEMBL5385582 0.98 ALDH1A1 (0.44) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5372114 0.93 ALDH1A1 (0.41) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5377142 0.93 PPARA (0.45) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5372063 0.91 ALDH1A1 (0.39) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5377258 0.91 ALDH1A1 (0.48) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5377477 0.88 PPARA (0.46) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5385880 0.88 ALDH1A1 (0.46) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5454293 0.88 PPARA (0.37) ALDH1A1PPARARAB9ASMN1; SMN2TP53
SCHEMBL5382517 0.87 CYP4F2 (0.45) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL5372440 0.87 F2RL3 (0.38) ALDH1A1PPARARAB9ASMN1; SMN2TP53

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