SCHEMBL8958340

SCHEMBL8958340

O=c1c2cccc(O)c2oc2c(O)ccc(O)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.74
EGFR P00533 1/20 0.74
ATP1A1 P05023 3/20 0.67
ATP1B1 P05026 3/20 0.67
ATP1A3 P13637 3/20 0.67
ATP1B2 P14415 3/20 0.67
ATP1A2 P50993 3/20 0.67
ATP1B3 P54709 3/20 0.67
FXYD2 P54710 3/20 0.67
ATP1A4 Q13733 3/20 0.67
KDM5A P29375 1/20 0.67
NUDT1 P36639 2/20 0.55
RELA Q04206 1/20 0.55
ACHE P22303 1/20 0.52
MAOB P27338 1/20 0.52
PTPN1 P18031 1/20 0.50
MGAM O43451 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47

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
SCHEMBL7228336 0.86 ATP1A1 (0.79) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL15527312 0.85 MAOA (1.00) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL30738503 0.85 MAOA (1.00) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL7237614 0.82 MAOA (0.65) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL31258561 0.82 MAOA (0.65) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL151934 0.80 ATP1A1 (1.00) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL23240848 0.77 ATP1A1 (0.71) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL5141096 0.77 ATP1A1 (0.59) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL29754913 0.77 MAOA (0.67) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL2054079 0.77 MAOA (0.70) MAOAEGFRATP1A1ATP1B1ATP1A3

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
JP-8193029-A None JP disclosed
JP-H08193029-A ACTIVE OXYGEN ELIMINATING AGENT NIPPON MEKTRON LTD 1996-07-30 JP disclosed