SCHEMBL13475155

SCHEMBL13475155

O=C(OC1COC[C@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
PTPN1 P18031 1/20 0.44
CHRNA7 P36544 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL30709622 1.00 BCHE (0.51) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL26832050 1.00 BCHE (0.51) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL28262599 0.91 BCHE (0.55) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22393637 0.85 BCHE (0.50) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22101386 0.85 BCHE (0.50) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22393926 0.85 BCHE (0.50) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL30091030 0.83 BCHE (0.52) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL30656099 0.83 BCHE (0.49) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL27052721 0.83 BCHE (0.49) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL21266893 0.82 BCHE (0.41) BCHECHRM2CHRM4CHRM1CHRM3

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-2010017480-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2010-02-11 WO disclosed