SCHEMBL3176227

SCHEMBL3176227

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL3160752 0.88 ALDH1A1 (0.36) SMN1; SMN2TSHRTDP1ALDH1A1MAPT
SCHEMBL3177434 0.86 TSHR (0.38) TSHRTDP1NPSR1MAPT
SCHEMBL3176183 0.86 TDP1 (0.36) SMN1; SMN2TSHRTDP1
SCHEMBL3168253 0.82 MAPT (0.33) TDP1MAPT
SCHEMBL3178795 0.79 GAA (0.42) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL3177400 0.78 GAA (0.39) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL3167771 0.73 PPID (0.48) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8939889 0.70 GAA (0.65) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL19105432 0.68 TSHR (0.43) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL8824241 0.68 TSHR (0.50) SMN1; SMN2TSHRGAAMGAMSI

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