SCHEMBL8633442

SCHEMBL8633442

CCC(C)OC(=O)C(CCCCCCNC(=O)OC(C)(C)C)(OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
CTSK P43235 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL8633833 0.96 SYK (0.40) TDP1NPSR1SYKMEN1GAA
SCHEMBL8633439 0.82 NPSR1 (0.46) TDP1NPSR1SYKDRD2MAPT
SCHEMBL8883484 0.79 PTPRB (0.45) TDP1NPSR1SYKDRD2MAPT
SCHEMBL8632625 0.77 IDO1 (0.46) TDP1NPSR1SYKGAAL3MBTL1
SCHEMBL8633540 0.77 IDO1 (0.46) TDP1NPSR1SYKMEN1GAA
SCHEMBL8633561 0.77 TDP1 (0.48) TDP1NPSR1MEN1GAAKMT2A
SCHEMBL8630758 0.73 IDO1 (0.44) TDP1NPSR1SYKMEN1GAA
SCHEMBL8630069 0.72 MEN1 (0.48) TDP1MEN1GAAKMT2ADRD2
SCHEMBL20590258 0.72 TDP1 (0.58) TDP1NPSR1MEN1GAAKMT2A
SCHEMBL14985078 0.71 IDO1 (0.52) TDP1NPSR1MEN1GAAKMT2A

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