SCHEMBL2268022

SCHEMBL2268022

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 5/20 0.57
SIRT2 Q8IXJ6 11/20 0.54
SIRT1 Q96EB6 10/20 0.54
SIRT3 Q9NTG7 3/20 0.54
TGM2 P21980 1/20 0.53
SSTR3 P32745 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
Hydrochloric Acid SCHEMBL10943848 0.99 SIRT5 (0.56) SIRT5SIRT2SIRT1SIRT3TGM2
Hydrochloric Acid SCHEMBL10884941 0.99 SIRT5 (0.56) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL17289476 0.98 SIRT5 (0.55) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL2193250 0.95 SSTR3 (0.57) SIRT5SIRT2SIRT1SIRT3SSTR3
SCHEMBL14286269 0.94 SIRT5 (0.51) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL236067 0.94 SIRT5 (0.51) SIRT5SIRT2SIRT1SIRT3TGM2
SCHEMBL14264834 0.94 SIRT5 (0.51) SIRT5SIRT2SIRT1SIRT3TGM2
Hydrochloric Acid SCHEMBL3503087 0.94 SIRT5 (0.51) SIRT5SIRT2SIRT1SIRT3TGM2
Hydrochloric Acid SCHEMBL10946482 0.93 SIRT2 (0.49) SIRT5SIRT2SIRT1SIRT3TGM2
Hydrochloric Acid SCHEMBL10960457 0.93 SIRT2 (0.49) SIRT5SIRT2SIRT1SIRT3TGM2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309788-B2 Protease inhibitors in absorbent articles THE PROCTER AND GAMBLE COMPANY (US) 2012-11-13 US disclosed
US-8244484-B2 Proteome epitope tags and methods of use thereof in protein modification analysis EMD MILLIPORE CORPORATION (US) 2012-08-14 US disclosed
US-8003362-B2 Methods and constructs for high yield expression of clostripain MEDTRONIC INC. (US) 2011-08-23 US disclosed
US-20100331200-A1 POST TRANSLATIONAL MODIFICATION PATTERN ANALYSIS MILLIPORE CORPORATION 2010-12-30 US disclosed
US-7855057-B2 Protein splice variant/isoform discrimination and quantitative measurements thereof MILLIPORE CORPORATION (US) 2010-12-21 US disclosed
US-20100184613-A1 Proteome Epitope Tags and Methods of Use Thereof in Protein Modification Analysis MILLIPORE CORPORATION (US) 2010-07-22 US disclosed
US-7645586-B2 Protein isoform discrimination and quantitative measurements thereof MILLIPORE CORPORATION (US) 2010-01-12 US disclosed
EP-1521767-B1 METHODS AND CONSTRUCTS FOR HIGH YIELD EXPRESSION OF CLOSTRIPAIN RESTORAGEN INC (US) 2009-12-16 EP disclosed
US-7618788-B2 Proteome epitope tags and methods of use thereof in protein modification analysis MILLIPORE CORPORATION (US) 2009-11-17 US disclosed
US-20090131890-A1 PROTEASE INHIBITORS IN ABSORBENT ARTICLES ROURKE FRANCIS JAMES 2009-05-21 US disclosed
EP-1061963-B1 PROTEASE INHIBITORS IN ABSORBENT ARTICLES PROCTER & GAMBLE (US) 2003-05-07 EP disclosed
EP-1128725-B1 DISPOSABLE PREMOISTENED WIPE CONTAINING AN ANTIMICROBIAL PROTEASE INHIBITOR PROCTER & GAMBLE (US) 2003-03-26 EP disclosed
EP-1128725-A1 DISPOSABLE PREMOISTENED WIPE CONTAINING AN ANTIMICROBIAL PROTEASE INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 2001-09-05 EP disclosed
US-6207596-B1 AROMATIC DIAMIDINE THE PROCTER & GAMBLE COMPANY 2001-03-27 US disclosed
EP-1061962-A1 DISPOSABLE ABSORBENT ARTICLE HAVING A SKIN CARE COMPOSITION CONTAINING AN ENZYME INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 2000-12-27 EP disclosed
WO-2000027191-A1 DISPOSABLE PREMOISTENED WIPE CONTAINING AN ANTIMICROBIAL PROTEASE INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 2000-05-18 WO disclosed
WO-1999045973-A1 DISPOSABLE ABSORBENT ARTICLE HAVING A SKIN CARE COMPOSITION CONTAINING AN ENZYME INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 1999-09-16 WO disclosed
EP-0329693-A4 HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITORS PRODUCED BY RECOMBINANT DNA METHODS AND PROCESSES FOR THE PRODUCTION OF SAME. SYNERGEN BIOLOG INC (US) 1989-09-26 EP disclosed
EP-0329693-A1 HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITORS PRODUCED BY RECOMBINANT DNA METHODS AND PROCESSES FOR THE PRODUCTION OF SAME SYNERGEN BIOLOGICALS, INC. (US) 1989-08-30 EP disclosed
WO-1988003171-A1 HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITORS PRODUCED BY RECOMBINANT DNA METHODS AND PROCESSES FOR THE PRODUCTION OF SAME SYNERGEN BIOLOGICALS, INC. (US) 1988-05-05 WO disclosed