SCHEMBL3175369

SCHEMBL3175369

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 2/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL3161214 0.94 ALDH1A1 (0.47) GAAALDH1A1MAPTBCL9CTNNB1
SCHEMBL3161026 0.89 ALDH1A1 (0.48) GAAALDH1A1MAPTLMNAMAPK1
SCHEMBL3177256 0.87 GAA (0.49) GAAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3182451 0.85 ALDH1A1 (0.43) GAAALDH1A1TDP1KMT2AMAPK1
SCHEMBL3168403 0.85 L3MBTL1 (0.51) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL3175114 0.84 ALDH1A1 (0.46) GAAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3161647 0.83 ALDH1A1 (0.46) GAAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3171142 0.83 HTR2A (0.47) GAAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3176366 0.83 ALDH1A1 (0.49) GAAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3175213 0.82 ALDH1A1 (0.42) GAAALDH1A1MAPTMAPK1L3MBTL1

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