SCHEMBL1503473

SCHEMBL1503473

CCCN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.63
GSTK1 Q9Y2Q3 1/20 0.63
GLO1 Q04760 2/20 0.47
NOD1 Q9Y239 4/20 0.46
FOLH1 Q04609 1/20 0.40
GLP1R P43220 8/20 0.40
FNTA P49354 2/20 0.38
FNTB P49356 2/20 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
SCHEMBL28180347 0.94 PTGS1 (0.62) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL3798423 0.94 PTGS1 (0.62) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL28851364 0.92 PTGS1 (0.59) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL2048450 0.92 PTGS1 (0.59) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL3796646 0.91 NOD1 (0.58) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL2787327 0.91 NOD1 (0.58) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL27640167 0.91 NOD1 (0.58) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL8933698 0.91 NOD1 (0.58) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL4657012 0.90 PTGS1 (0.66) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL28337837 0.90 PTGS1 (0.66) PTGS1GSTK1GLO1NOD1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109903-A1 NEGATIVE ELECTRODE MATERIAL FOR ZINC-ION BATTERY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院深圳先进技术研究院 2024-05-30 WO 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
EP-2398500-A2 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM TO-BBB Holding B.V. (NL) 2011-12-28 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-2010095940-A2 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM TO-BBB HOLDING B.V. (NL) 2010-08-26 WO disclosed
EP-1865942-A2 NOVEL INHIBITORS OF GLUTATHIONE-S-TRANSFERASE Universität Giessen (DE) 2007-12-19 EP disclosed
WO-2006097472-A2 NOVEL INHIBITORS OF GLUTATHIONE-S-TRANSFERASE UNIVERSITÄT GIESSEN (DE) 2006-09-21 WO disclosed
EP-1363584-A1 TREATMENT OF DANDRUFF UNILEVER PLC (GB) 2003-11-26 EP disclosed
WO-2002067880-A1 TREATMENT OF DANDRUFF UNILEVER PLC (GB) 2002-09-06 WO disclosed
EP-0514451-A1 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS. UNIV TEXAS (US) 1992-11-25 EP disclosed
WO-1991011117-A2 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-08-08 WO disclosed