SCHEMBL329038

SCHEMBL329038

CCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.66
SIRT2 Q8IXJ6 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
CTSL P07711 5/20 0.60
CTSS P25774 5/20 0.60
CTSB P07858 3/20 0.55
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
TACR1 P25103 2/20 0.53
KYNU Q16719 1/20 0.53

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
SCHEMBL265783 1.00 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL265461 1.00 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL11332452 0.92 CTSL (0.72) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL150166 0.92 CTSL (0.72) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL4126228 0.92 CTSL (0.72) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL20381057 0.91 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL22144261 0.91 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL17279329 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSMME
SCHEMBL11308449 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSMME
Hydrochloric Acid SCHEMBL4438043 0.90 CTSL (0.70) CTSKSIRT2SIRT1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014083582-A2 NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2014-06-05 WO claimed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023178167-A1 ASYMMETRIC PIPERAZINE-BASED CATIONIC LIPIDS TRANSLATE BIO, INC. (US) 2023-09-21 WO disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-110770224-B Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2022-11-18 CN disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
EP-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 EP disclosed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed
CN-1261894-A Polyol-amino-acid compounds having anti-helicobactor pylori activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 CN disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
US-4720484-A Peptide compounds having a nitrogenous polycyclic structure ADIR S.A.R.L. (FR) 1988-01-19 US disclosed
EP-0190058-B1 PEPTIDE DERIVATIVES WITH A POLYCYCLIC NITROGEN STRUCTURE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR (FR) 1987-12-23 EP disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed