SCHEMBL17424314

SCHEMBL17424314

C=C(NCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
ECE1 P42892 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
EPHX1 P07099 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIRT5 Q9NXA8 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
SCHEMBL15339881 0.83 TDP1 (0.42) MEN1GAAKMT2ATDP1MAOA
SCHEMBL156911 0.82 GAA (0.58) MEN1GAAKMT2ATDP1MAOA
Succinic Acid SCHEMBL29429364 0.80 GAA (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL21834873 0.80 GAA (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19487375 0.80 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19487376 0.79 TDP1 (0.39) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18233922 0.78 KMT2A (0.48) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12155265 0.78 TDP1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4854621 0.78 TDP1 (0.39) MEN1GAAKMT2ATDP1CA12
SCHEMBL17234179 0.76 MEN1 (0.39) 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-9234007-B2 RGD mimetic γ-AApeptides and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-01-12 US disclosed