SCHEMBL2875699

SCHEMBL2875699

COC(=O)c1ccc(C=C2CCc3ccc(Br)cc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.55
MAOA P21397 3/20 0.55
MIF P14174 6/20 0.50
CYP26A1 O43174 2/20 0.50
CYP19A1 P11511 2/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 1/20 0.45
APP P05067 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7166794 1.00 MAOB (0.55) MAOBMAOAMIFCYP26A1CYP19A1
SCHEMBL8548289 0.83 MAPT (0.66) MAOBMIFCYP19A1MAPTKMT2A
SCHEMBL8548291 0.83 MAPT (0.66) MAOBMIFCYP19A1MAPTKMT2A
SCHEMBL22105147 0.82 MIF (0.72) MAOBMAOAMIFCYP26A1CYP19A1
SCHEMBL30832101 0.81 MIF (0.66) MAOBMAOAMIFCYP26A1CYP19A1
SCHEMBL29545753 0.81 MAOB (0.55) MAOBMAOAMIFCYP26A1CYP19A1
SCHEMBL29013433 0.81 MAOB (0.55) MAOBMAOAMIFCYP26A1CYP19A1
SCHEMBL2872982 0.80 MIF (0.74) MAOBMIFCYP26A1CYP19A1MAPT
SCHEMBL7158711 0.80 MIF (0.74) MAOBMIFCYP26A1CYP19A1MAPT
SCHEMBL30838819 0.79 MAOB (0.74) MAOBMAOAMIFCYP19A1MAPT

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-0975583-B1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES MERIAL LTD (US) 2010-10-20 EP disclosed
US-6555709-B1 Derivatives of 4-(naphth-2-ylmethyl)-N-(2-methylphenyl) benzamide; storing crops (cotton and rice); insecticides; miticides; nematocides; molluscs; anthelmintics; acarina; textiles; foods HOECHST SCHERING AGREVO S.A. (FR) 2003-04-29 US disclosed
EP-0975583-A1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 2000-02-02 EP disclosed
WO-1998045252-A1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1998-10-15 WO disclosed