SCHEMBL11870652

SCHEMBL11870652

N[C@@H](CCC(=O)N[C@@H](CSCC(=O)N1CCCC1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
GSTK1 Q9Y2Q3 1/20 0.57
GLO1 Q04760 4/20 0.53
FOLH1 Q04609 2/20 0.37
NOD1 Q9Y239 4/20 0.36
ABCC1 P33527 1/20 0.34

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
SCHEMBL11870629 1.00 PTGS1 (0.57) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4677204 0.91 PTGS1 (0.56) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4678375 0.90 PTGS1 (0.55) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4673813 0.86 PTGS1 (0.50) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4158575 0.85 PTGS1 (0.68) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4158582 0.85 PTGS1 (0.68) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL11864018 0.84 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL11864029 0.84 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL14850395 0.84 PTGS1 (0.50) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL16260254 0.84 PTGS1 (0.50) PTGS1GSTK1GLO1FOLH1NOD1

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
US-3984569-A Cosmetic compositions for treating the hair containing S-substituted derivatives of glutathione L'OREAL (FR) 1976-10-05 US disclosed