SCHEMBL5385572

SCHEMBL5385572

CCOC(=O)CCc1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.56
PPARA Q07869 7/20 0.49
PPARG P37231 5/20 0.49
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL5387989 0.90 FFAR1 (0.70) FFAR1PPARAPPARGFFAR4
SCHEMBL5397157 0.85 FFAR1 (0.59) FFAR1PPARAPPARG
SCHEMBL5377258 0.84 ALDH1A1 (0.48) FFAR1PPARAKDM4EALDH1A1TP53
SCHEMBL5372016 0.84 L3MBTL1 (0.42) FFAR1ALDH1A1CYSLTR2CYSLTR1FFAR4
SCHEMBL5385770 0.84 ALOX5AP (0.43) FFAR1CYSLTR2CYSLTR1FFAR4
SCHEMBL5387654 0.84 FFAR1 (0.54) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5372367 0.83 FFAR1 (0.40) FFAR1FFAR4S1PR1S1PR5
SCHEMBL5377471 0.83 FFAR1 (0.40) FFAR1TP53MAPTFFAR4S1PR1
SCHEMBL5377364 0.82 FFAR1 (0.41) FFAR1FFAR4S1PR1S1PR5
SCHEMBL5377265 0.82 ALDH1A1 (0.41) FFAR1PPARAKDM4EALDH1A1TP53

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