SCHEMBL8634408

SCHEMBL8634408

COC(=O)C(O)(CCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
EPHX1 P07099 1/20 0.39
PTPRB P23467 1/20 0.39
DGAT1 O75907 1/20 0.39
IDO1 P14902 1/20 0.37
DRD2 P14416 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8630676 0.92 TDP1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633719 0.91 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633229 0.90 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8634602 0.88 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8631782 0.86 MEN1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8630770 0.82 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8634208 0.80 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL21724670 0.80 TDP1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8630894 0.79 TDP1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633773 0.79 MEN1 (0.57) MEN1GAAKMT2ATDP1MAOA

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-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US claimed