SCHEMBL5376790

SCHEMBL5376790

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
PTPN1 P18031 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CASP1 P29466 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5385614 0.90 CYP4F2 (0.48) CYP4F2CYP4A11PTPN1FAAHALDH1A1
SCHEMBL5387533 0.87 CYP4F2 (0.47) CYP4F2CYP4A11PTPN1FAAHALDH1A1
SCHEMBL5380541 0.85 PTPN1 (0.48) PTPN1
SCHEMBL5381948 0.84 PPARG (0.40) CYP4F2CYP4A11PTPN1
SCHEMBL5376852 0.83 CYP4F2 (0.42) CYP4F2CYP4A11PTPN1FAAHALDH1A1
SCHEMBL5377294 0.83 PPARG (0.43)
SCHEMBL5382517 0.83 CYP4F2 (0.45) CYP4F2CYP4A11PTPN1FAAHALDH1A1
SCHEMBL5382790 0.82 FFAR1 (0.54)
SCHEMBL5377364 0.79 FFAR1 (0.41) CYP4F2CYP4A11PTPN1
SCHEMBL5385157 0.78 FFAR1 (0.44) CYP4F2CYP4A11

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