SCHEMBL6129713

SCHEMBL6129713

NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.45
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL6136428 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8500636 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8397119 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL6129700 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL1487366 0.99 ECE1 (0.46) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8717802 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL9228819 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL29592041 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8717771 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL7464934 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111471719-B Efficient non-meiotic allele introgression 重组股份有限公司 2024-06-18 — — CN disclosed
CN-117098526-A Clostridium neurotoxin comprising exogenous activating ring 益普生生物制药有限公司 2023-11-21 — — CN disclosed
CN-115698268-A Transposition-based therapies 萨利欧基因治疗公司 2023-02-03 — — CN disclosed
CN-113573727-A New use of botulinum neurotoxin for the treatment of tremors 梅尔兹制药公司 2021-10-29 — — CN disclosed
CN-110938150-B Preparation method and application of E-type botulinum toxin recombinant L-HN antigen Institute of Pharmacology and Toxicology Academy of Military Medical Sciences PLA China (CN) 2021-08-31 — — CN disclosed
CN-107207586-B Device and method for determining biological activity of BoNT/E in cells 莫茨药物股份两合公司 2021-07-13 — — CN disclosed
CN-112351992-A Botulinum toxin cell binding domain polypeptides and methods for their use in skin regeneration 阿勒根公司 2021-02-09 — — CN disclosed
CN-112351991-A Botulinum toxin cell binding domain polypeptides and methods for their use in treating fibrosis related disorders 阿勒根公司 2021-02-09 — — CN disclosed
CN-111647627-A Multiple gene editing 重组股份有限公司 2020-09-11 — — CN disclosed
CN-111471719-A Efficient non-meiotic allele introgression 重组股份有限公司 2020-07-31 — — CN disclosed
CN-101903035-A Methods of treating chronic neurogenic inflammation using modified clostridial toxins ALLERGAN INC 2010-12-01 — — CN disclosed
CN-101732717-A Ttk in diagnosis and as a therapeutic target in cancer NOVARTIS VACCINES & DIAGNOSTIC 2010-06-16 — — CN disclosed
CN-100578227-C TTK for diagnosis and as a therapeutic target for cancer CHIRON CORP 2010-01-06 — — CN disclosed
CN-100390283-C i(Chlanydia pneumoniae) genomic sequence and polypeptides, fragments thereof and uses thereof, in particular for the diagnosis, prevention and treatment of infection GENSET SA (FR) 2008-05-28 — — CN disclosed
CN-101107361-A Recombinant expression of disulfide-bridged, double-stranded forms of proteins BIOTECON THERAPEUTICS GMBH (DE) 2008-01-16 — — CN disclosed
EP-1105153-A4 MULTIVALENT VACCINE FOR (CLOSTRIDIUM BOTULINUM) NEUROTOXIN OPHIDIAN PHARM INC (US) 2005-01-19 — — EP disclosed
CN-1492875-A TTK for diagnosis and as a therapeutic target for cancer ϣ 2004-04-28 — — CN disclosed
EP-1105153-A1 MULTIVALENT VACCINE FOR (CLOSTRIDIUM BOTULINUM) NEUROTOXIN OPHIDIAN PHARMACEUTICALS, INC. (US) 2001-06-13 — — EP disclosed
CN-1279717-A Genomic sequence of Chlamydia pneumoniae and polypeptides, fragments thereof and uses thereof, in particular for the diagnosis, prevention and treatment of infections GENSET SA (FR) 2001-01-10 — — CN disclosed
WO-1998008540-A1 MULTIVALENT VACCINE FOR CLOSTRIDIUM BOTULINUM NEUROTOXIN OPHIDIAN PHARMACEUTICALS, INC. (US) 1998-03-05 — — WO disclosed
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