SCHEMBL5385595

SCHEMBL5385595

CCOC(=O)CCc1cn(Cc2ccc(OCn3nnc4ccccc43)cc2)nc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
PLA2G4A P47712 1/20 0.42
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
USP2 O75604 2/20 0.37
MDM2 Q00987 1/20 0.37
LMNA P02545 4/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 1/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5388055 0.92 PLA2G4A (0.43) POLBPLA2G4AMAPTRAB9AGAA
SCHEMBL5374629 0.81 PPARG (0.46) CYP4F2CYP4A11LMNAL3MBTL1ALDH1A1
SCHEMBL5377161 0.81 RAB9A (0.48) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL5373814 0.81 CYP4F2 (0.50) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL5381156 0.79 CYP4F2 (0.44) GAACYP4F2CYP4A11LMNAHSD17B10
SCHEMBL5387742 0.79 L3MBTL1 (0.46) CYP4F2CYP4A11LMNAL3MBTL1ALDH1A1
SCHEMBL16761691 0.76 LTA4H (0.48) POLBPLA2G4AMAPTRAB9AGAA
SCHEMBL5378860 0.76 MMP13 (0.42) POLBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL5377167 0.76 KDM4E (0.45) MAPTGAASMN1; SMN2CYP4F2CYP4A11
SCHEMBL5381015 0.75 ALOX5AP (0.42) 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