SCHEMBL5495801

SCHEMBL5495801

NC(=O)CCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MMP9 P14780 3/20 0.51
MMP2 P08253 2/20 0.51
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.39
GGH Q92820 1/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 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
SCHEMBL27717200 1.00 KMT2A (0.52) KMT2AMMP9MMP2CA2CA1
SCHEMBL2021994 1.00 KMT2A (0.52) KMT2AMMP9MMP2CA2CA1
SCHEMBL4627986 0.87 NAALAD2 (0.51) MMP9NPSR1NAALAD2GGHGAA
SCHEMBL4627982 0.87 NAALAD2 (0.51) MMP9NPSR1NAALAD2GGHGAA
SCHEMBL13726857 0.87 NAALAD2 (0.51) MMP9NPSR1NAALAD2GGHGAA
SCHEMBL2248455 0.85 KMT2A (0.50) KMT2AMMP9MMP2CA2CA1
SCHEMBL2021385 0.84 ALDH1A1 (0.48) KMT2AMMP9MMP2CA2CA1
SCHEMBL28694554 0.84 ALDH1A1 (0.48) KMT2AMMP9MMP2CA2CA1
SCHEMBL2021383 0.84 ALDH1A1 (0.48) KMT2AMMP9MMP2CA2CA1
SCHEMBL29908038 0.82 NPSR1 (0.43) KMT2AKIF11NPSR1NAALAD2GGH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100593536-C Method for synthesizing N-fluorene methoxycarbonyl-N-trityl-D-glutamine GL BIOCHEM SHANGHAI LTD 2010-03-10 CN claimed
CN-101274958-A Bioactive peptide, preparation thereof and application thereof OCEAN UNIV CHINA (CN) 2008-10-01 CN claimed
CN-101219970-A Method for synthesizing N-fluorene methoxycarbonyl-N-trityl-D-glutamine GL BIOCHEM SHANGHAI LTD (CN) 2008-07-16 CN claimed
CN-106414479-B Peptides as oxytocin agonists 豪夫迈·罗氏有限公司 2021-08-03 CN disclosed
EP-3784262-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII F. Hoffmann-La Roche AG (CH) 2021-03-03 EP disclosed
EP-3152225-B1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN LA ROCHE (CH) 2018-11-14 EP disclosed
EP-3151849-B1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN LA ROCHE (CH) 2018-10-10 EP disclosed
US-9957298-B2 Peptides as oxytocin agonists HOFFMANN-LA ROCHE INC. (US) 2018-05-01 US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
EP-3151849-A1 PEPTIDES AS OXYTOCIN AGONISTS F. Hoffmann-La Roche AG (CH) 2017-04-12 EP disclosed
EP-3152225-A1 PEPTIDES AS OXYTOCIN AGONISTS F. Hoffmann-La Roche AG (CH) 2017-04-12 EP disclosed
US-6872574-B2 Generating and screening compound libraries that are used for the identification of lead molecules, and for the parallel identification of their biological targets THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-29 US disclosed
US-6693168-B1 CATALYSTS FOR PREPARING CHIRAL AMINO ACIDS THE TRUSTEES OF BOSTON COLLEGE 2004-02-17 US disclosed
EP-1275006-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES The Scripps Research Institute (US) 2003-01-15 EP disclosed
US-20020182652-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-12-05 US disclosed
US-20020064799-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE OF AN ASSIGNMENT 2002-05-30 US disclosed
US-20020045194-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-18 US disclosed
US-20020040275-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE 2002-04-04 US disclosed
WO-2001077684-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 WO disclosed
WO-2000015605-A2 CHIRAL CYANOAMINES AND METHODS OF PREPARATION TRUSTEES OF BOSTON COLLEGE (US) 2000-03-23 WO disclosed