SCHEMBL5378990

SCHEMBL5378990

CCOC(=O)CCc1cn(Cc2ccc(O)cc2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
P2RX3 P56373 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP4Z1 Q86W10 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 1/20 0.37
CA7 P43166 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
SCHEMBL5380579 0.91 CYP4F2 (0.49) CYP4F2CYP4A11LMNAALDH1A1KMT2A
SCHEMBL5381156 0.87 CYP4F2 (0.44) CYP4F2CYP4A11P2RX3LMNAALDH1A1
SCHEMBL5383041 0.84 HDAC1 (0.53) CYP4F2CYP4A11LMNAALDH1A1KMT2A
SCHEMBL5382038 0.82 KMT2A (0.47) CYP4F2CYP4A11LMNAALDH1A1KMT2A
SCHEMBL5397452 0.79 ALDH1A1 (0.51) LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL5374736 0.78 FFAR1 (0.58)
SCHEMBL5120016 0.78 CYP4F2 (0.49) CYP4F2CYP4A11LMNAALDH1A1KMT2A
SCHEMBL5381180 0.78 HDAC1 (0.52) CYP4F2CYP4A11LMNAALDH1A1KMT2A
SCHEMBL5373814 0.77 CYP4F2 (0.50) CYP4F2CYP4A11LMNAALDH1A1KMT2A
SCHEMBL6035392 0.76 CYP4F2 (0.46) CYP4F2CYP4A11LMNAALDH1A1KMT2A

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 7 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
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN 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
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN 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