SCHEMBL4600042

SCHEMBL4600042

CNc1[c]ccc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
ALOX5 P09917 1/20 0.47
BCHE P06276 4/20 0.46
GRM5 P41594 1/20 0.44
MAOA P21397 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
APP P05067 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL4599858 0.85 MAOB (0.46) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL4599229 0.84 MAOB (0.45) MAOBALOX5BCHEMAOACYP4F2
SCHEMBL3456084 0.83 BCHE (0.53) MAOBALOX5BCHEMAOA
SCHEMBL4598481 0.81 BCHE (0.52) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL539028 0.79 MAOB (0.53) MAOBALOX5BCHEMAOACYP4F2
SCHEMBL4598684 0.79 BCHE (0.43) MAOBALOX5BCHEMAOACYP4F2
SCHEMBL4599932 0.78 BCHE (0.53) MAOBBCHE
SCHEMBL7088152 0.78 NQO1 (0.41) CYP1A2CYP2C19
SCHEMBL2093026 0.77 ALOX5 (0.53) MAOBALOX5BCHEMAOACYP4F2
SCHEMBL3948493 0.76 MAOB (0.58) MAOBALOX5BCHEMAOACYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed