SCHEMBL3178795

SCHEMBL3178795

C#CC(NCC(=O)OCC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 4/20 0.35
TRPA1 O75762 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPID Q08752 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3177958 0.84 MGAM (0.37) GAAMGAMSIMGAM2HSD17B10
SCHEMBL3171081 0.83 TSHR (0.37) GAAALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL3177400 0.82 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3176227 0.79 SMN1; SMN2 (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL468462 0.76 CTH (0.34) ALDH1A1MAPTLMNA
SCHEMBL3167771 0.74 PPID (0.48) ALDH1A1SMN1; SMN2LMNANPSR1PPID
SCHEMBL452234 0.71 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7430700 0.70 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL5595600 0.70 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7314127 0.70 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210882-A1 Synthesis of new protected azahistidine, their processes and their use in synthesises Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-07-28 EP disclosed
US-7645607-B2 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-12 US disclosed
EP-1705252-B1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20060216806-A1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED 2006-09-28 US disclosed
EP-1705252-A1 Method for producing optically active N-protected-propargylglycine Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed