SCHEMBL3177965

SCHEMBL3177965

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PYCR1 P32322 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
SCHEMBL9633230 0.85 MGAM (0.37) MGAMGAASIMGAM2TSHR
SCHEMBL3178805 0.81 CA12 (0.41) MGAMGAASIMGAM2HSD17B10
SCHEMBL8139158 0.81 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL3167085 0.80 TSHR (0.34) TSHR
SCHEMBL3161150 0.80 KCNQ4 (0.30)
SCHEMBL9978268 0.79 MGAM (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL3177216 0.79 HCAR2 (0.33)
SCHEMBL7200816 0.79 PYCR1 (0.38) PYCR1
SCHEMBL468463 0.78 KDM4E (0.34) TSHRHSD17B10PYCR1
SCHEMBL3171091 0.78 TSHR (0.37) TSHRHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285270-B1 A METHOD FOR PRODUCING 1-PROPARGYL-2,4-DIOXOIMIDAZOLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP claimed
EP-0285270-A1 A method for producing 1-propargyl-2,4-dioxoimidazolidine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-05 EP claimed
EP-2576588-A1 METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES Syngene Limited (AU) 2013-04-10 EP disclosed
WO-2011146974-A1 METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES MONASH UNIVERSITY (AU) 2011-12-01 WO disclosed
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