SCHEMBL765433

SCHEMBL765433

C/C=C/C(=O)c1cc(OCc2ccc(F)cc2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.61
MAOA P21397 4/20 0.61
NR4A2 P43354 2/20 0.47
PARP10 Q53GL7 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
CTSL P07711 1/20 0.45

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
SCHEMBL754206 0.83 MAOB (0.82) MAOBMAOANR4A2PARP10
SCHEMBL751930 0.81 KDM4E (0.57) MAOBMAOACYSLTR2CYSLTR1
SCHEMBL751929 0.81 KDM4E (0.57) MAOBMAOACYSLTR2CYSLTR1
SCHEMBL754649 0.80 MAOB (0.49) MAOBMAOANR4A2CYSLTR2CYSLTR1
SCHEMBL756373 0.80 MAOB (0.49) MAOBMAOACYSLTR2CYSLTR1CTSL
SCHEMBL17907495 0.79 CYSLTR2 (0.56) MAOBMAOACYSLTR2CYSLTR1
SCHEMBL17907496 0.79 CYSLTR2 (0.56) MAOBMAOACYSLTR2CYSLTR1
SCHEMBL3228412 0.78 MAOB (0.61) MAOBMAOANR4A2PARP10
SCHEMBL31228112 0.78 MCL1 (0.67) MAOBMAOANR4A2
SCHEMBL17922020 0.78 MAOB (0.38) MAOBMAOACYSLTR2CYSLTR1

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-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed