SCHEMBL3177958

SCHEMBL3177958

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
TSHR P16473 4/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL3167074 0.84 TSHR (0.34) TSHR
SCHEMBL3178795 0.84 GAA (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL3171081 0.81 TSHR (0.37) GAATSHRHSD17B10
SCHEMBL468462 0.80 CTH (0.34)
SCHEMBL3174619 0.79 CA12 (0.41) TET2TSHRRECQLCA12CA2
SCHEMBL3160752 0.75 ALDH1A1 (0.36) TSHR
SCHEMBL3177913 0.71 HTT (0.47) GAA
SCHEMBL1278864 0.69 PTPRC (0.33) GAACA12CA2CA14
SCHEMBL464449 0.68
SCHEMBL3177400 0.66 GAA (0.39) MGAMGAASIMGAM2TSHR

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