SCHEMBL4969156

SCHEMBL4969156

O=C(Nc1ccc(O)c(O)c1)c1cc2ccccc2oc1=O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.76
MAOA P21397 12/20 0.73
F12 P00748 1/20 0.73
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA4 P22748 1/20 0.68
CA5A P35218 1/20 0.68
CA7 P43166 1/20 0.68
CA5B Q9Y2D0 1/20 0.68
NPC1 O15118 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
RAB9A P51151 1/20 0.67
MAPK1 P28482 1/20 0.67

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
SCHEMBL11462954 0.89 MAOB (0.91) MAOBMAOAF12CA12CA1
SCHEMBL13856772 0.89 MAOB (0.72) MAOBMAOAF12CA12CA1
SCHEMBL12325915 0.87 MAOB (0.69) MAOBMAOAF12CA12CA1
SCHEMBL4972712 0.86 MAOB (1.00) MAOBMAOAF12CA12CA1
SCHEMBL28649035 0.86 MAOB (0.83) MAOBMAOAF12NPC1ADORA3
SCHEMBL4971958 0.86 MAOB (0.83) MAOBMAOAF12NPC1ADORA3
SCHEMBL831792 0.85 MAOB (1.00) MAOBMAOAF12NPC1ADORA3
SCHEMBL6228344 0.83 MAOB (1.00) MAOBMAOAF12CA12CA1
SCHEMBL4389144 0.82 MAOA (1.00) MAOBMAOAF12CA12CA1
SCHEMBL6228552 0.81 MAOB (1.00) MAOBMAOAF12NPC1ADORA3

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-2008104925-A1 CHROMONE DERIVATIVES FOR USE AS ANTIOXIDANTS/PRESERVATIVES UNIVERSIDADE DO PORTO (PT) 2008-09-04 WO claimed
WO-2008104925-A1 CHROMONE DERIVATIVES FOR USE AS ANTIOXIDANTS/PRESERVATIVES UNIVERSIDADE DO PORTO (PT) 2008-09-04 WO disclosed