SCHEMBL6665327

SCHEMBL6665327

CCC(N)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 11/20 0.46
CA2 P00918 11/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
EPHX1 P07099 1/20 0.39

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
Hydrochloric Acid SCHEMBL6122869 0.98 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1748939 0.95 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL27207965 0.94 TDP1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4624537 0.90 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL21190311 0.89 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12667474 0.87 MEN1 (0.64) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22574596 0.87 MEN1 (0.64) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12668248 0.86 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22574565 0.85 MEN1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22574568 0.85 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
EP-1457483-A1 Cationic lipids with serine backbone Ruhr-Universität Bochum (DE) 2004-09-15 EP disclosed