SCHEMBL4657012

SCHEMBL4657012

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
GSTK1 Q9Y2Q3 1/20 0.66
GLO1 Q04760 2/20 0.49
FOLH1 Q04609 2/20 0.46
NOD1 Q9Y239 3/20 0.42
ACE P12821 1/20 0.38
GLP1R P43220 5/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
MAPT P10636 2/20 0.37
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL28337837 1.00 PTGS1 (0.66) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29163790 0.92 PTGS1 (0.78) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28862930 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1332941 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1503473 0.90 PTGS1 (0.63) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL993265 0.89 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1
Glutathione SCHEMBL15210323 0.89 PTGS1 (0.73) PTGS1GSTK1GLO1FOLH1NOD1
Glutathione SCHEMBL15210325 0.89 PTGS1 (0.73) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL3798423 0.89 PTGS1 (0.62) PTGS1GSTK1GLO1NOD1GLP1R
SCHEMBL28180347 0.89 PTGS1 (0.62) PTGS1GSTK1GLO1NOD1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111642575-A Oily system containing 3, 4-dihydroxy phenethyl alcohol, preparation method and application 杭州唯铂莱生物科技有限公司 2020-09-11 CN claimed
EP-1853292-B1 PHARMACEUTICAL COMPOSITION COMPRISING GLUTATHIONE COMPOUNDS AND BETALAIN FOR THE PREVENTION AND TREATMENT OF CANCER GERNOT TREUSCH (ES) 2008-12-10 EP claimed
WO-2002100811-A1 S-METHYLCYSTEINE S-ETHYLCYSTEINE AND RELATED S-ALKYLTHIOLS AS ANTAGONISTS TO THE EFFECTS OF S-NITROSOTHIOLS AND NITRIC OXIDE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2002-12-19 WO claimed
US-4879370-A ALKYL ESTER TO INCREASE CELLULAR LEVELS CORNELL RESEARCH FOUNDATION, INC. (US) 1989-11-07 US claimed
CN-117599029-A Compositions for controlled release of cysteamine and systematic treatment of cysteamine-sensitive disorders 硫创治疗公司 2024-02-27 CN disclosed
CN-109983003-B Diaryl pyrazole compound and pest control agent 日本曹达株式会社 2022-06-03 CN disclosed
CN-111511741-B Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2022-04-01 CN disclosed
CN-113518777-A Heterocyclic compound and agricultural and horticultural bactericide 日本曹达株式会社 2021-10-19 CN disclosed
CN-111868024-B Phenoxy urea compound and pest control agent 日本曹达株式会社 2021-08-20 CN disclosed
CN-111936469-A (hetero) arylsulfonamide compound and pest control agent 日本曹达株式会社 2020-11-13 CN disclosed
CN-111868024-A Phenoxy urea compound and pest control agent 日本曹达株式会社 2020-10-30 CN disclosed
CN-111818800-A Pest control method and pest control agent composition 日本曹达株式会社 2020-10-23 CN disclosed
CN-103987249-A Compound for increasing amino acid content of plant and application thereof OKAYAMA PREFECTURE 2014-08-13 CN disclosed
EP-1853292-B1 PHARMACEUTICAL COMPOSITION COMPRISING GLUTATHIONE COMPOUNDS AND BETALAIN FOR THE PREVENTION AND TREATMENT OF CANCER GERNOT TREUSCH (ES) 2008-12-10 EP disclosed
EP-1853292-A1 PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF CANCER Gernot, Treusch (ES) 2007-11-14 EP disclosed
WO-2006084768-A1 PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF CANCER GERNOT TREUSCH (ES) 2006-08-17 WO disclosed
WO-2002100811-A1 S-METHYLCYSTEINE S-ETHYLCYSTEINE AND RELATED S-ALKYLTHIOLS AS ANTAGONISTS TO THE EFFECTS OF S-NITROSOTHIOLS AND NITRIC OXIDE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2002-12-19 WO disclosed
EP-0655245-A2 Compositions and their use for retarding the aging process FREE RADICAL SCIENCES Inc (US) 1995-05-31 EP 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