SCHEMBL8546381

SCHEMBL8546381

Cc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
MAOA P21397 2/20 0.49
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL8545815 0.89 MAOB (0.54) MAOBMEN1KMT2AFFAR1
SCHEMBL8549981 0.88 MRGPRX4 (0.52) MAOBMAOAFFAR1RAB9A
SCHEMBL7900968 0.88 MAOB (0.58) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL7900972 0.88 MAOB (0.58) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL7900970 0.88 MAOB (0.58) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL8546398 0.85 FFAR1 (0.46) MAOBFFAR1
SCHEMBL8546377 0.85 MAOB (0.57) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL8547558 0.84 SMPD1 (0.52) MAOBMAOAFFAR1RAB9A
SCHEMBL8549666 0.83 GPR132 (0.60)
SCHEMBL8545786 0.82 GPR132 (0.52) MAOB

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