SCHEMBL6199191

SCHEMBL6199191

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
MAPK1 P28482 2/20 0.44
MAOB P27338 2/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 2/20 0.43
XDH P47989 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL15602827 0.83 SGMS2 (0.52) MAPK1MAOBALDH1A1XDHMAPT
SCHEMBL6200588 0.81 PTPN1 (0.64) PTPN1MAPTL3MBTL1
SCHEMBL8896541 0.81 PTPN1 (0.72) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL6198469 0.80 PTPN1 (0.63) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL6200654 0.80 PTPN1 (0.63) PTPN1MAPK1BRD4ALDH1A1PTGS2
SCHEMBL6199219 0.80 PTPN1 (0.63) PTPN1MAPK1MAOBBRD4ALDH1A1
SCHEMBL6199847 0.80 PTPN1 (0.63) PTPN1MAPK1MAOBBRD4ALDH1A1
Fluoride SCHEMBL28325117 0.78 MAOB (0.56) MAPK1MAOBXDHMAPTTDP1
SCHEMBL12988735 0.78 MAOB (0.70) PTPN1MAOBXDH
SCHEMBL6200447 0.77 PTPN1 (0.60) PTPN1MAPK1MAOBBRD4ALDH1A1

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