SCHEMBL3176366

SCHEMBL3176366

CC(C)(C)OC(=O)CNCC#CC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.46
NR1D1 P20393 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.39
HTR2A P28223 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
SCHEMBL3177256 0.89 GAA (0.49) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL3161026 0.87 ALDH1A1 (0.48) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL3161647 0.85 ALDH1A1 (0.46) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL6943834 0.85 ALDH1A1 (0.62) ALDH1A1MAPTGAANR1D1L3MBTL1
SCHEMBL3161214 0.85 ALDH1A1 (0.47) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL3171142 0.85 HTR2A (0.47) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL3171210 0.84 SYK (0.42) ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL3175114 0.84 ALDH1A1 (0.46) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL3175077 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAAHTT
SCHEMBL3175369 0.83 GAA (0.47) ALDH1A1MAPTGAAL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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