SCHEMBL6658844

SCHEMBL6658844

CCCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)OCCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
GSTK1 Q9Y2Q3 1/20 0.56
NOD1 Q9Y239 10/20 0.47
GLO1 Q04760 1/20 0.40
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 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
SCHEMBL1503471 0.92 PTGS1 (0.68) PTGS1GSTK1NOD1GLO1FNTA
SCHEMBL10490007 0.92 PTGS1 (0.68) PTGS1GSTK1NOD1GLO1FNTA
SCHEMBL6249653 0.91 NOD1 (0.59) PTGS1GSTK1NOD1GLO1
SCHEMBL14611105 0.91 PTGS1 (0.70) PTGS1GSTK1NOD1GLO1FNTA
SCHEMBL2137598 0.88 PTGS1 (0.58) PTGS1GSTK1NOD1GLO1FNTA
SCHEMBL16501104 0.88 PTGS1 (0.58) PTGS1GSTK1NOD1GLO1FNTA
SCHEMBL20179361 0.85 PTGS1 (0.53) PTGS1GSTK1NOD1GLO1
SCHEMBL2048447 0.84 PTGS1 (0.64) PTGS1GSTK1NOD1GLO1FNTA
SCHEMBL9817304 0.84 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL8774782 0.84 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1

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