SCHEMBL4632996

SCHEMBL4632996

CC(C)(CS)NC(=O)C(S)CNC(=O)CCC(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
GSTK1 Q9Y2Q3 1/20 0.45
GLO1 Q04760 1/20 0.40
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GSR P00390 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIK1 P39086 1/20 0.36
GRM5 P41594 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
SLC1A3 P43003 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL930858 0.78 PTGS1 (0.62) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL29386612 0.72 SLC1A1 (0.56) PTGS1GSTK1SLC1A2SLC1A1GRM8
SCHEMBL1768706 0.71 SLC1A1 (0.50) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL1768701 0.71 SLC1A1 (0.50) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL23950310 0.70 SLC1A2 (0.48) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL21089973 0.70 SLC1A1 (0.48) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL23950747 0.70 SLC1A2 (0.48) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL19275530 0.69 PTGS1 (0.65) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL4632988 0.69 PTGS1 (0.39) PTGS1GSTK1GLO1SLC1A2SLC1A1
SCHEMBL22689643 0.69 GRM8 (0.52) PTGS1GSTK1GLO1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed