SCHEMBL8769445

SCHEMBL8769445

[CH]c1coc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.44
MAOA P21397 5/20 0.44
PTPN1 P18031 1/20 0.44
CA2 P00918 1/20 0.42
FTO Q9C0B1 1/20 0.41
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ADORA2B P29275 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MIF P14174 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL2490828 0.74 CHRM2 (0.50) MAOBMAOAPTPN1CA2FTO
SCHEMBL17351128 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO
SCHEMBL22955630 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO
SCHEMBL276153 0.70 MAOB (0.48) MAOBMAOAPTPN1CA2FTO
SCHEMBL288813 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO
SCHEMBL24682836 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO
SCHEMBL2014162 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO
SCHEMBL7442683 0.70 MAOB (0.46) MAOBMAOAPTPN1CA2FTO
SCHEMBL6008 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO
SCHEMBL12183 0.70 MAOB (0.44) MAOBMAOAPTPN1CA2FTO

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-0558635-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 1997-09-10 EP claimed