SCHEMBL7758252

SCHEMBL7758252

CC(=O)N[C@@H](CS)C(=O)OS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
PTGS2 P35354 1/20 0.61
THPO P40225 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 1/20 0.39
ACE P12821 1/20 0.37
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TACR1 P25103 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL2298043 0.85 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999610 0.85 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999598 0.85 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112331 0.85 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14088106 0.85 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112332 0.85 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5599294 0.85 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23870628 0.83 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6815850 0.83 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL122644 0.82 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109060781-A Anti- lecithin antibody detection method in serum 天津市宝坻区人民医院 2018-12-21 CN claimed
CN-116046984-A Device and method for rapidly detecting clinically used hydrogen sulfide by inhaling acetylcysteine solution 重庆市食品药品检验检测研究院 2023-05-02 CN disclosed
CN-114886860-B Acetylcysteine pharmaceutical composition, preparation and preparation process thereof 山东达因海洋生物制药股份有限公司 2023-04-25 CN disclosed
CN-115429780-A Use of disulfiram for protecting gastrointestinal tissue against damage caused by ionizing radiation 中国人民解放军军事科学院军事医学研究院 2022-12-06 CN disclosed
CN-112057441-A Method for treating post-traumatic stress disorder 西奈山伊坎医学院 2020-12-11 CN disclosed
CN-108350448-A Method for separating nucleic acid from sample containing nucleic acid and device therefor 株式会社钟化 2018-07-31 CN disclosed
CN-104173323-A Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS INC 2014-12-03 CN disclosed
CN-101222927-A Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS INC (US) 2008-07-16 CN disclosed
CN-1443064-A Administration of thiol-based chemoprotectant compound OREGON HEALTH SCIENCES UNIV (US) 2003-09-17 CN disclosed
EP-0839528-B1 Mouth-soluble compositions containing N-acetylcysteine and cyclodextrin STAROIL LTD (GB) 2001-03-14 EP disclosed
EP-0839528-A1 Mouth-soluble compositions containing N-acetylcysteine and cyclodextrin STAROIL LIMITED (GB) 1998-05-06 EP disclosed