SCHEMBL4632069

SCHEMBL4632069

CCN(C(=O)[C@@H](N)CS)[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
SLC7A11 Q9UPY5 1/20 0.47
ENPEP Q07075 4/20 0.35
SLC1A2 P43004 5/20 0.34
SLC1A1 P43005 5/20 0.34
SLC1A3 P43003 4/20 0.34
GRIK1 P39086 4/20 0.34
GRIK2 Q13002 3/20 0.34
SLC7A5 Q01650 1/20 0.31
GRIA4 P48058 1/20 0.30
GRIK3 Q13003 1/20 0.30
GRIK5 Q16478 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
SCHEMBL2028307 0.79 PTGS1 (0.34) PTGS1SLC7A11ENPEP
SCHEMBL7360975 0.79 PTGS1 (0.34) PTGS1SLC7A11ENPEP
SCHEMBL515406 0.79 PTGS1 (0.34) PTGS1SLC7A11ENPEP
SCHEMBL38660143 0.77 KDM4E (0.36) PTGS1SLC7A11ENPEP
SCHEMBL3230289 0.77 KDM4E (0.36) PTGS1SLC7A11ENPEP
SCHEMBL7646334 0.77 KDM4E (0.36) PTGS1SLC7A11ENPEP
SCHEMBL4633150 0.73 KDM4E (0.56)
SCHEMBL4633539 0.73 KDM4E (0.56)
SCHEMBL4827071 0.72 PTGS1 (0.46) PTGS1SLC7A11ENPEP
Cysteine SCHEMBL5573292 0.71

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