SCHEMBL6194136

SCHEMBL6194136

CCOc1cccc(OC(C)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
PTPN1 P18031 1/20 0.46
PTGS2 P35354 4/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL8766243 0.87 KDM4E (0.55) L3MBTL1PTPN1PTGS2MAPK1KDM4E
SCHEMBL7037844 0.86 PTGS2 (0.46) PTPN1PTGS2MAPK1KDM4EHSD17B10
SCHEMBL674008 0.84 ALDH1A1 (0.52) L3MBTL1GLAMAPK1KDM4EHSD17B10
SCHEMBL9825698 0.84 ALDH1A1 (0.52) L3MBTL1GLAMAPK1KDM4EHSD17B10
SCHEMBL4923575 0.83 L3MBTL1 (0.61) L3MBTL1GLAPTGS2KDM4EHSD17B10
SCHEMBL6198803 0.80 GABRA1 (0.57) PTPN1PTGS2MAPK1KDM4EHSD17B10
SCHEMBL2878372 0.79 KDM4E (0.57) L3MBTL1PTPN1PTGS2MAPK1KDM4E
SCHEMBL1458762 0.79 HSD17B10 (0.56) L3MBTL1PTPN1PTGS2MAPK1KDM4E
SCHEMBL8117696 0.79 KLK1 (0.56) L3MBTL1GLAMAPK1KDM4EALDH1A1
SCHEMBL6200625 0.78 MAPK1 (0.47) L3MBTL1PTPN1PTGS2MAPK1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed