SCHEMBL10833008

SCHEMBL10833008

CN(C)C(=O)OC1COC(c2ccccc2)OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
CHRM4 P08173 4/20 0.41
CHRM3 P20309 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C19 P33261 1/20 0.40
HCRTR2 O43614 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
TSHR P16473 1/20 0.36
ADAM10 O14672 1/20 0.35
ERBB2 P04626 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
KCNA4 P22459 1/20 0.35
KCNA1 Q09470 1/20 0.35

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
SCHEMBL12199520 0.84 SLC18A3 (0.43) BCHECHRM4CHRM3KMT2AMEN1
SCHEMBL19328433 0.83 MEN1 (0.44) BCHECHRM4CHRM3KMT2AMEN1
SCHEMBL17785114 0.83 MEN1 (0.44) BCHECHRM4CHRM3KMT2AMEN1
SCHEMBL2151170 0.81 MEN1 (0.42) BCHECHRM4CHRM3KMT2AMEN1
SCHEMBL29177227 0.81 MEN1 (0.46) KMT2AMEN1CYP2C19HCRTR2L3MBTL1
SCHEMBL13278373 0.79 MEN1 (0.41) BCHEKMT2AMEN1CYP2C19HCRTR2
SCHEMBL14038138 0.79 MEN1 (0.41) BCHEKMT2AMEN1CYP2C19HCRTR2
SCHEMBL12199634 0.78 MEN1 (0.40) BCHEKMT2AMEN1CYP2C19HCRTR2
SCHEMBL12199526 0.78 HCRTR2 (0.39) BCHEKMT2AMEN1CYP2C19HCRTR2
SCHEMBL12199530 0.77 MEN1 (0.39) BCHEKMT2AMEN1CYP2C19HCRTR2

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
US-4576933-A Method of use of 1-(alkyl for alkylcarbanoyl)-2-carbamoylglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-03-18 US disclosed