SCHEMBL6663176

SCHEMBL6663176

CCCOC(=O)CN(C(=O)CC)C(=O)C(CSC(=O)CC)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 15/20 0.44
GLO1 Q04760 2/20 0.36
FOLH1 Q04609 2/20 0.35
PTGS1 P23219 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.33

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
SCHEMBL6659473 0.93 NOD1 (0.42) NOD1GLO1
SCHEMBL6661117 0.93 NOD1 (0.43) NOD1GLO1
SCHEMBL6658819 0.90 NOD1 (0.42) NOD1GLO1FOLH1PTGS1GSTK1
SCHEMBL6665542 0.88 NOD1 (0.40) NOD1GLO1FOLH1PTGS1GSTK1
SCHEMBL6661424 0.87 NOD1 (0.45) NOD1GLO1FOLH1PTGS1GSTK1
SCHEMBL6664720 0.86 PTGS1 (0.45) NOD1GLO1FOLH1PTGS1GSTK1
SCHEMBL6665704 0.86 NOD1 (0.46) NOD1GLO1
SCHEMBL6660439 0.85 NOD1 (0.43) NOD1GLO1FOLH1PTGS1GSTK1
SCHEMBL6658984 0.84 NOD1 (0.40) NOD1GLO1
SCHEMBL6680041 0.83 NOD1 (0.39) NOD1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147452-A1 Non-amphoteric glutathione derivative compositions for tropical application YU RUEY J 2004-07-29 US claimed
WO-2004010968-A1 NON-AMPHOTERIC GLUTATHIONE DERIVATIVE COMPOSITIONS FOR TOPICAL APPLICATION YU RUEY J (US) 2004-02-05 WO claimed
US-20040147452-A1 Non-amphoteric glutathione derivative compositions for tropical application YU RUEY J 2004-07-29 US disclosed