SCHEMBL5376853

SCHEMBL5376853

CCOC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 2/20 0.41
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 2/20 0.37
UBE2I P63279 2/20 0.36
CACNA1B Q00975 2/20 0.36
APBA1 Q02410 2/20 0.36

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
SCHEMBL4847886 0.95 PPARG (0.48) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL5387948 0.94 PPARG (0.48) PPARGADORA3ADORA2AADORA1KDM4E
SCHEMBL4854332 0.93 PPARG (0.45) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL5384879 0.92 PPARG (0.46) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4846728 0.92 PPARG (0.43) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL5376925 0.91 MAPT (0.44) PPARGKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL4852926 0.91 PPARG (0.43) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4848061 0.91 PPARG (0.43) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4847960 0.90 PPARG (0.50) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4845680 0.89 PPARG (0.39) PPARGADORA3ADORA2AADORA1ADORA2B

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