SCHEMBL5377294

SCHEMBL5377294

CCOC(=O)CCc1cn(Cc2ccc3cc(OCc4cccnc4)ccc3c2)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAOB P27338 3/20 0.40
IKBKB O14920 1/20 0.40
GPR132 Q9UNW8 7/20 0.40
MMP13 P45452 2/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 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
SCHEMBL5385317 0.90 PTGER4 (0.43) IKBKBGPR132
SCHEMBL5381948 0.88 PPARG (0.40) PPARGPPARDPPARAMAOBMEN1
SCHEMBL5380541 0.85 PTPN1 (0.48)
SCHEMBL5382790 0.83 FFAR1 (0.54) PPARGPPARDPPARA
SCHEMBL5376790 0.83 CYP4F2 (0.43)
SCHEMBL5385020 0.83 FFAR1 (0.46)
SCHEMBL5376735 0.82 FFAR1 (0.49) GPR132CYP11B1CYP11B2
SCHEMBL5377358 0.81 TP53 (0.46) MMP13L3MBTL1
SCHEMBL5385157 0.80 FFAR1 (0.44) CD274
SCHEMBL5372390 0.79 FFAR1 (0.47)

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 3 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