SCHEMBL5376852

SCHEMBL5376852

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PTPN1 P18031 1/20 0.39
CNR2 P34972 5/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 2/20 0.35
FAAH O00519 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5382517 0.94 CYP4F2 (0.45) CYP4F2CYP4A11FFAR1FFAR4PTPN1
SCHEMBL5387533 0.92 CYP4F2 (0.47) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL5385614 0.85 CYP4F2 (0.48) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL5397102 0.84 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2
SCHEMBL5376790 0.83 CYP4F2 (0.43) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL5381619 0.83 FFAR1 (0.50) FFAR1
SCHEMBL5385582 0.82 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2
SCHEMBL5380915 0.81 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2
SCHEMBL5372114 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL5372063 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2

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