SCHEMBL28014191

SCHEMBL28014191

COC(=O)c1cccc(OCc2ccc(Br)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.75
MAOA P21397 3/20 0.75
SMPD1 P17405 5/20 0.73
MRGPRX4 Q96LA9 2/20 0.62
HPD P32754 3/20 0.56
NR4A2 P43354 1/20 0.55

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
SCHEMBL2254423 0.87 SMPD1 (0.76) MAOBMAOASMPD1MRGPRX4NR4A2
SCHEMBL976424 0.87 MAOB (0.73) MAOBSMPD1MRGPRX4NR4A2
SCHEMBL30412034 0.87 MAOB (0.73) MAOBSMPD1MRGPRX4NR4A2
SCHEMBL6415086 0.86 MAOB (0.75) MAOBMAOASMPD1MRGPRX4HPD
SCHEMBL14966572 0.86 MAOB (0.63) MAOBMAOASMPD1MRGPRX4
SCHEMBL1122722 0.86 MAOB (0.68) MAOBSMPD1MRGPRX4NR4A2
SCHEMBL12182449 0.86 MAOB (1.00) MAOBMAOASMPD1HPD
SCHEMBL10411878 0.85 MRGPRX4 (0.77) MAOBMAOASMPD1MRGPRX4NR4A2
SCHEMBL9368832 0.85 MRGPRX4 (0.73) MAOBMRGPRX4
SCHEMBL28600087 0.84 SMPD1 (1.00) MAOBMAOASMPD1HPDNR4A2

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
CN-104557997-A Chemical probe for detecting hydrogen peroxide WANG GUOPING 2015-04-29 CN disclosed