SCHEMBL4733332

SCHEMBL4733332

COc1ccc(N=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.70
MAOA P21397 2/20 0.56
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 2/20 0.51
RECQL P46063 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
CASP3 P42574 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
PLEC Q15149 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4733326 1.00 MAOB (0.70) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL13785964 0.92 MAOB (0.70) MAOBMAOAMAPTHDAC8KDM4E
SCHEMBL13785972 0.91 MAOB (0.62) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL4699500 0.88 MAOB (0.65) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL4699493 0.88 MAOB (0.65) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL13956194 0.86 MAOB (0.65) MAOBMAOAMAPTHDAC8KDM4E
SCHEMBL13956185 0.84 MAOB (0.59) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL4956210 0.83 MAOB (0.61) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL4956205 0.83 MAOB (0.61) MAOBMAOAMAPTALDH1A1GAA
SCHEMBL8806871 0.80 KDM4E (0.77) MAOBMAOAMAPTALDH1A1GAA

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
WO-2008057948-A2 PROCESSES FOR PRODUCTION OF DIPHENYLYLAZETIDIN-2-ONES AND RELATED COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed