SCHEMBL3160752

SCHEMBL3160752

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3176227 0.88 SMN1; SMN2 (0.37) ALDH1A1TDP1TSHRMAPTSMN1; SMN2
SCHEMBL3176183 0.88 TDP1 (0.36) TDP1TSHRSMN1; SMN2
SCHEMBL3177434 0.86 TSHR (0.38) TDP1TSHRMAPT
SCHEMBL3168253 0.84 MAPT (0.33) TDP1MAPTCACNA1BAPBA1
SCHEMBL10537479 0.76 ALDH1A1 (0.39) ALDH1A1LMNATDP1TSHRMAPT
SCHEMBL3174619 0.76 CA12 (0.41) TSHR
SCHEMBL3177958 0.75 MGAM (0.37) TSHR
SCHEMBL3177913 0.71 HTT (0.47) ALDH1A1LMNATDP1MAPTSMN1; SMN2
SCHEMBL29152953 0.70 TSHR (0.46) ALDH1A1LMNATDP1TSHRMAPT
SCHEMBL10458335 0.68 ALDH1A1 (0.47) ALDH1A1LMNATDP1TSHRMAPT

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