SCHEMBL3176183

SCHEMBL3176183

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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) TDP1TSHRSMN1; SMN2
SCHEMBL3177434 0.86 TSHR (0.38) TDP1TSHR
SCHEMBL3176227 0.86 SMN1; SMN2 (0.37) TDP1TSHRSMN1; SMN2
SCHEMBL3168253 0.82 MAPT (0.33) TDP1
SCHEMBL3171186 0.79 NLRP3 (0.32)
SCHEMBL3167074 0.79 TSHR (0.34) TSHR
SCHEMBL28570919 0.71 TDP1 (0.50) TDP1TSHRSMN1; SMN2
SCHEMBL3176186 0.69 TDP1 (0.36) TDP1TSHR
SCHEMBL7395772 0.67 TDP1 (0.42) TDP1TSHR
Butane SCHEMBL8705902 0.67 TSHR (0.43) TDP1TSHRSMN1; SMN2

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