SCHEMBL8634602

SCHEMBL8634602

COC(=O)C(O)(CCCCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
DRD2 P14416 6/20 0.41
EPHX1 P07099 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8633719 0.94 MEN1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8630894 0.93 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8633552 0.91 TDP1 (0.63) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8634408 0.88 MEN1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8630900 0.88 TDP1 (0.52) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8630770 0.86 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8634208 0.85 MEN1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8633561 0.83 TDP1 (0.48) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8633773 0.83 MEN1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8630774 0.82 MEN1 (0.49) TDP1MEN1GAAKMT2AMAOA

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