SCHEMBL8223903

SCHEMBL8223903

[SiH3]c1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.71
▸ MAOB P27338 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ TDP1 Q9NUW8 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ PTPN1 P18031 3/20 0.39
▸ MGAM O43451 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL12810804 0.83 MAOA (0.71) MAOAMAOBCYP3A4TDP1MAPT
Maackiain SCHEMBL29670858 0.83 MAOA (1.00) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL12891393 0.83 MAOA (0.71) MAOAMAOBCYP3A4TDP1MAPT
Maackiain SCHEMBL12810278 0.83 MAOA (1.00) MAOAMAOBCYP3A4TDP1MAPT
Pterocarpin SCHEMBL1248057 0.80 MAPT (1.00) MAOAMAOBCYP3A4TDP1MAPT
Pterocarpin SCHEMBL1248055 0.80 MAPT (1.00) MAOAMAOBCYP3A4TDP1MAPT
Pterocarpin SCHEMBL29361907 0.80 MAPT (1.00) MAOAMAOBCYP3A4TDP1MAPT
Neodulin SCHEMBL29374942 0.74 MAOA (0.58) MAOAMAOBCYP3A4TDP1MAPT
Neodulin SCHEMBL28407408 0.74 MAOA (0.58) MAOAMAOBCYP3A4TDP1MAPT
Medicarpin SCHEMBL2812444 0.70 MAOA (0.78) MAOAMAOBCYP3A4TDP1MAPT

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
WO-2008058269-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2008-05-15 — — WO disclosed
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