SCHEMBL5377364

SCHEMBL5377364

CCOC(=O)CCc1cn(Cc2ccc(OCc3cccs3)cc2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.41
FFAR4 Q5NUL3 6/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LTA4H P09960 2/20 0.38
EPHX2 P34913 1/20 0.38
PTPN1 P18031 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
POLB P06746 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
PTGER4 P35408 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
SCHEMBL5386412 0.89 FFAR1 (0.51) FFAR1FFAR4PTGER4
SCHEMBL5377809 0.87 FFAR1 (0.40) FFAR1FFAR4CYP4F2CYP4A11PTPN1
SCHEMBL5372367 0.85 FFAR1 (0.40) FFAR1FFAR4CYP4F2CYP4A11LTA4H
SCHEMBL5377471 0.85 FFAR1 (0.40) FFAR1FFAR4CYP4F2CYP4A11PTPN1
SCHEMBL5381657 0.85 ALDH1A1 (0.42) FFAR1FFAR4POLB
SCHEMBL5377258 0.84 ALDH1A1 (0.48) FFAR1FFAR4POLB
SCHEMBL5372016 0.84 L3MBTL1 (0.42) FFAR1FFAR4CYP4F2CYP4A11PTPN1
SCHEMBL5385614 0.84 CYP4F2 (0.48) CYP4F2CYP4A11PTPN1
SCHEMBL5385880 0.83 ALDH1A1 (0.46) FFAR1FFAR4POLB
SCHEMBL5385157 0.83 FFAR1 (0.44) FFAR1FFAR4CYP4F2CYP4A11S1PR1

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