SCHEMBL1503471

SCHEMBL1503471

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.68
GSTK1 Q9Y2Q3 1/20 0.68
GLO1 Q04760 1/20 0.49
NOD1 Q9Y239 14/20 0.48
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL10490007 1.00 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL2048447 0.92 PTGS1 (0.64) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL6658844 0.92 PTGS1 (0.56) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL8774782 0.91 PTGS1 (0.63) PTGS1GSTK1GLO1NOD1
SCHEMBL9817304 0.91 PTGS1 (0.63) PTGS1GSTK1GLO1NOD1
SCHEMBL10803638 0.91 PTGS1 (0.63) PTGS1GSTK1GLO1NOD1
SCHEMBL10801547 0.91 PTGS1 (0.63) PTGS1GSTK1GLO1NOD1
SCHEMBL6257074 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA
Glutathione Ethyl Ester SCHEMBL680361 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1
Glutathione Ethyl Ester SCHEMBL7530345 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1

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
CN-108893106-B Fluorescent probe for detecting high-concentration gamma-glutamyl transpeptidase and preparation method thereof 川北医学院 2021-03-16 CN disclosed
EP-2475986-A2 METHOD AND APPARATUS FOR CONVERSION OF MULTIPLE ANALYTE CATION TYPES TO A SINGLE ANALYTE ANION TYPE VIA ION/ION CHARGE INVERSION Purdue Research Foundation (US) 2012-07-18 EP disclosed
WO-2011031665-A2 METHOD AND APPARATUS FOR CONVERSION OF MULTIPLE ANALYTE CATION TYPES TO A SINGLE ANALYTE ANION TYPE VIA ION/ION CHARGE INVERSION PURDUE RESEARCH FOUNDATION (US) 2011-03-17 WO disclosed
WO-2004010968-A1 NON-AMPHOTERIC GLUTATHIONE DERIVATIVE COMPOSITIONS FOR TOPICAL APPLICATION YU RUEY J (US) 2004-02-05 WO disclosed