SCHEMBL6664720

SCHEMBL6664720

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
GSTK1 Q9Y2Q3 1/20 0.45
NOD1 Q9Y239 16/20 0.44
GLO1 Q04760 1/20 0.39
FOLH1 Q04609 2/20 0.35

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
SCHEMBL6661832 0.93 NOD1 (0.43) PTGS1GSTK1NOD1GLO1
SCHEMBL6659930 0.93 PTGS1 (0.47) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6657807 0.91 PTGS1 (0.46) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6663009 0.89 PTGS1 (0.48) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6656894 0.87 PTGS1 (0.46) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6663176 0.86 NOD1 (0.44) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6665437 0.86 PTGS1 (0.54) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6660935 0.85 NOD1 (0.42) PTGS1GSTK1NOD1GLO1
SCHEMBL3679098 0.84 PTGS1 (0.47) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6658835 0.83 NOD1 (0.43) PTGS1GSTK1NOD1

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 4 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
WO-2004010968-A1 NON-AMPHOTERIC GLUTATHIONE DERIVATIVE COMPOSITIONS FOR TOPICAL APPLICATION YU RUEY J (US) 2004-02-05 WO disclosed