SCHEMBL8545506

SCHEMBL8545506

COC(=O)CCC(C(=O)c1cccc(OCc2ccoc2)c1)c1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
NR4A2 P43354 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL7908718 0.91 MAOB (0.42) MAOB
SCHEMBL7908721 0.91 MAOB (0.42) MAOB
SCHEMBL8545812 0.89 MAOB (0.51) MAOBNR4A2SMPD1
SCHEMBL8549978 0.86 MRGPRX4 (0.48) MAOBNR4A2SMPD1
SCHEMBL8547554 0.86 SMPD1 (0.53) MAOBNR4A2SMPD1
SCHEMBL8549927 0.86
SCHEMBL8549782 0.85 MAOB (0.53) MAOBNR4A2SMPD1
SCHEMBL8545782 0.85 GPR132 (0.48) MAOBNR4A2SMPD1
SCHEMBL8546391 0.84 MAOB (0.42) MAOBNR4A2SMPD1
SCHEMBL8546792 0.84 MAOB (0.53) MAOBNR4A2

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