SCHEMBL8633561

SCHEMBL8633561

CCC(C)OC(=O)C(O)(CCCCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 3/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CAPN1 P07384 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL8630069 0.95 MEN1 (0.48) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8634602 0.83 TDP1 (0.56) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633552 0.83 TDP1 (0.63) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8630900 0.83 TDP1 (0.52) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633719 0.78 MEN1 (0.53) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8634208 0.77 MEN1 (0.58) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8630774 0.77 MEN1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633442 0.77 TDP1 (0.42) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8630894 0.76 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633773 0.76 MEN1 (0.57) TDP1MEN1KMT2AGAAMAOA

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