SCHEMBL6199847

SCHEMBL6199847

CC(=O)Oc1cccc(F)c1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.63
NPC1 O15118 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
MAPK1 P28482 2/20 0.48
BRD4 O60885 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM1A O60341 3/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
PTGS2 P35354 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 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
SCHEMBL3617567 0.87 PTPN1 (0.61) PTPN1NPC1MRGPRX4BRD4ALDH1A1
SCHEMBL6200588 0.84 PTPN1 (0.64) PTPN1NPC1MRGPRX4MAPTL3MBTL1
SCHEMBL8896541 0.84 PTPN1 (0.72) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL18066381 0.83 PTPN1 (0.76) PTPN1NPC1MRGPRX4MAPK1BRD4
SCHEMBL6198469 0.83 PTPN1 (0.63) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL6199219 0.83 PTPN1 (0.63) PTPN1NPC1MRGPRX4MAPK1BRD4
SCHEMBL6200654 0.83 PTPN1 (0.63) PTPN1NPC1MRGPRX4MAPK1BRD4
SCHEMBL1766179 0.81 MAPT (0.56) NPC1MRGPRX4MAPK1KDM1AMAOB
SCHEMBL6200447 0.81 PTPN1 (0.60) PTPN1MRGPRX4MAPK1BRD4ALDH1A1
SCHEMBL1115032 0.80 PTPN1 (0.61) PTPN1NPC1MRGPRX4MAPK1BRD4

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