SCHEMBL4599776

SCHEMBL4599776

COc1ccccc1C(OC)N1CCO[C@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4599678 0.82 MAOB (0.35) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL4164179 0.80 MOGAT2 (0.40) TDP1CNR2ALDH1A1MAOBNPC1
SCHEMBL2294378 0.80 MOGAT2 (0.40) TDP1CNR2ALDH1A1MAOBNPC1
SCHEMBL2296987 0.80 MOGAT2 (0.40) TDP1CNR2ALDH1A1MAOBNPC1
SCHEMBL2294004 0.80 MOGAT2 (0.40) TDP1CNR2ALDH1A1MAOBNPC1
SCHEMBL2296254 0.80 MOGAT2 (0.40) TDP1CNR2ALDH1A1MAOBNPC1
SCHEMBL4599753 0.78 MOGAT2 (0.40) CNR2LMNAMOGAT2L3MBTL1
SCHEMBL2295377 0.77 TDP1 (0.43) TDP1CNR2MAPTALDH1A1MAOB
SCHEMBL2299386 0.77 TDP1 (0.43) TDP1CNR2MAPTALDH1A1MAOB
SCHEMBL4599475 0.76 MOGAT2 (0.39) TDP1CNR2MAOBMOGAT2

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 4 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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed