SCHEMBL8546377

SCHEMBL8546377

COC(=O)CCC(C(=O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1)c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
MAOA P21397 2/20 0.48
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SLC2A1 P11166 1/20 0.44
RAB9A P51151 1/20 0.43
FFAR1 O14842 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
SCHEMBL7900968 0.92 MAOB (0.58) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL7900972 0.92 MAOB (0.58) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL7900970 0.92 MAOB (0.58) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL8545812 0.89 MAOB (0.51) MAOBMEN1KMT2A
SCHEMBL8549978 0.88 MRGPRX4 (0.48) MAOBMEN1KMT2ALMNASLC2A1
SCHEMBL8546391 0.86 MAOB (0.42) MAOB
SCHEMBL8546792 0.86 MAOB (0.53) MAOBMAOARAB9A
SCHEMBL8546381 0.85 MAOB (0.58) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL8547554 0.84 SMPD1 (0.53) MAOBLMNARAB9A
SCHEMBL8549927 0.84

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed