SCHEMBL6200447

SCHEMBL6200447

CC(=O)Oc1cccc(C(C)C)c1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.60
GLRA1 P23415 2/20 0.53
MAPK1 P28482 2/20 0.46
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL28858141 0.86 GLRA1 (0.50) PTPN1GLRA1MAPK1ALDH1A1TDP1
SCHEMBL18066369 0.84 PTPN1 (0.72) PTPN1GLRA1MAPK1BRD4ALDH1A1
SCHEMBL6200588 0.82 PTPN1 (0.64) PTPN1MAPTL3MBTL1MRGPRX4KDM4E
SCHEMBL8896541 0.82 PTPN1 (0.72) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL26908068 0.81 GLRA1 (0.56) PTPN1GLRA1BRD4ALDH1A1L3MBTL1
SCHEMBL14495325 0.81 MAPK1 (0.57) PTPN1MAPK1ALDH1A1PTGS2TDP1
SCHEMBL28078446 0.81 GLRA1 (0.60) GLRA1MAPK1ALDH1A1TDP1MAPT
SCHEMBL6199219 0.81 PTPN1 (0.63) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL6199847 0.81 PTPN1 (0.63) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL6200654 0.81 PTPN1 (0.63) PTPN1MAPK1BRD4ALDH1A1PTGS2

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