SCHEMBL16312876

SCHEMBL16312876

CCN(CC)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.73
MAOA P21397 2/20 0.73
ACHE P22303 3/20 0.69
MIF P14174 5/20 0.64
BCHE P06276 1/20 0.63
PTGS2 P35354 2/20 0.60
CYP19A1 P11511 2/20 0.58
TNF P01375 2/20 0.58
CES2 O00748 2/20 0.55
STK17B O94768 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL3801973 1.00 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL30298462 1.00 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL6681374 1.00 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL9804016 0.88 MIF (0.67) MAOBMAOAACHEMIFCYP19A1
SCHEMBL30298451 0.88 MIF (0.67) MAOBMAOAACHEMIFCYP19A1
SCHEMBL1453992 0.87 MAOB (0.67) MAOBMAOAACHEMIFBCHE
SCHEMBL1453994 0.87 MAOB (0.67) MAOBMAOAACHEMIFBCHE
SCHEMBL10134148 0.85 MAOB (0.74) MAOBMAOAACHEMIFBCHE
SCHEMBL14020185 0.85 MAOB (0.74) MAOBMAOAACHEMIFBCHE
SCHEMBL51712 0.85 MAOB (1.00) MAOBMAOAACHEMIFBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273971-B1 Process for photopolymerization by exposure of a photosensitive lithographic printing plate FUJIFILM CORP (JP) 2010-02-10 EP disclosed