SCHEMBL5801964

SCHEMBL5801964

CC(=O)c1cc(OCc2ccccc2)ccc1Br

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.69
MAOA P21397 9/20 0.60
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 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
SCHEMBL10750881 0.88 MAOB (0.74) MAOBMAOA
SCHEMBL16110038 0.88 MEN1 (0.64) MAOBMEN1PKMKMT2A
SCHEMBL29853714 0.88 MEN1 (0.64) MAOBMEN1PKMKMT2A
SCHEMBL564731 0.86 MAOB (0.55) MAOBMAOAMEN1PKMKMT2A
SCHEMBL26768249 0.84 ALDH1A1 (0.53) MAOBMEN1PKMKMT2A
SCHEMBL560607 0.84 MAOB (0.81) MAOBMAOACASP3SENP8SENP7
SCHEMBL2785214 0.84 MAOB (0.71) MAOBMAOA
SCHEMBL23887772 0.82 NMT2 (0.56) MAOBMAOAMEN1PKMKMT2A
SCHEMBL30367618 0.82 NMT2 (0.56) MAOBMAOAMEN1PKMKMT2A
SCHEMBL567416 0.82 MAOB (1.00) MAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006067412-A1 CHEMICAL PROCESSES FOR THE PREPARATION OF A COLCHINOL DERIVATIVE AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed