SCHEMBL181245

SCHEMBL181245

NC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.39
CA4 known ✓ P22748 3/20 0.38
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CTSL P07711 1/20 0.32
MEN1 O00255 1/20 0.31
LDHA P00338 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC22A16 Q86VW1 1/20 0.30

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
SCHEMBL740787 0.82 CA4 (0.46) CA2CA4CPT2CPT1ACTSL
Methylamine SCHEMBL9540584 0.81 CA2 (0.43) CA2CA4CPT2CPT1ACTSL
Potassium Ion SCHEMBL7154954 0.77 CA4 (0.42) CA2CA4CPT2CPT1ACTSL
Alcohol SCHEMBL9533571 0.75 CA2 (0.41) CA2CA4CPT2CPT1ACTSL
SCHEMBL7115121 0.74 CA4 (0.33) CA2CA4MEN1LDHABLM
SCHEMBL4903344 0.74 CA4 (0.33) CA2CA4MEN1LDHABLM
SCHEMBL5161331 0.71 CA4 (0.44) CA2CA4CPT2CPT1ACTSL
SCHEMBL2937130 0.69 CYP3A4 (0.32) CA2CA4
SCHEMBL28695498 0.68 CA4 (0.46) CA2CA4CPT2CPT1ACTSL
SCHEMBL187912 0.68 CA4 (0.46) CA2CA4CPT2CPT1ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116812953-A Preparation method of hexagonal magnesium hydroxide and application of hexagonal magnesium hydroxide in low-smoke halogen-free cable material 潍坊泽隆新材料有限公司 2023-09-29 CN disclosed
CN-113382871-B Cleaning agent for printing machine 东丽株式会社 2023-08-08 CN disclosed
EP-3489026-B1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORP (JP) 2023-05-24 EP disclosed
WO-2023054210-A1 LITHOGRAPHIC PRINTING METHOD AND PLATE SURFACE DETERGENT FOR ON-PRESS DEVELOPMENT-TYPE LITHOGRAPHIC PRINTING PLATE 富士フイルム株式会社 2023-04-06 WO disclosed
US-20220339952-A1 LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-10-27 US disclosed
EP-3182204-B1 PLANOGRAPHIC PRINTING PLATE PRECURSOR USING A POLYMERIZABLE COMPOSITION FUJIFILM CORP (JP) 2021-10-20 EP disclosed
US-20210197516-A1 LAMINATE FUJIFILM CORPORATION (JP) 2021-07-01 US disclosed
WO-2020202634-A1 MICROCAPSULES, MICROCAPSULE COMPOSITION, INK COMPOSITION, COATING MATERIAL, AND RESIN COMPOSITION 富士フイルム株式会社 2020-10-08 WO disclosed
WO-2020194910-A1 MICROCAPSULES, MICROCAPSULE COMPOSITION, SOFTENER, AND DETERGENT 富士フイルム株式会社 2020-10-01 WO disclosed
EP-3437894-B1 LITHOGRAPHIC PRINTING PLATE ORIGINAL PLATE AND LAMINATE THEREOF AND METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE ORIGINAL PLATE FUJIFILM CORP (JP) 2020-06-03 EP disclosed
US-20060057492-A1 Polymer having polymerizable group, polymerizable composition, planographic printing plate precursor, and planographic printing method using the same FUJI PHOTO FILM CO., LTD. 2006-03-16 US disclosed
EP-1634898-A2 Polymer having polymerizable group, polymerizable composition, planographic printing plate precursor, and planographic printing method using the same FUJI PHOTO FILM CO., LTD. (JP) 2006-03-15 EP disclosed
US-20060046193-A1 Polymerizable composition, hydrophilic film using it and planographic printing plate precursor FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
EP-1630602-A2 Polymerizable composition, hydrophilic film formed by curing said composition and planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-03-01 EP disclosed
US-20050282086-A1 Planographic printing method and planographic printing plate precursor used therein FUJI PHOTO FILM CO., LTD. 2005-12-22 US disclosed
EP-1607233-A1 Planographic printing method and planographic printing plate precursor. Fuji Photo Film Co., Ltd. (JP) 2005-12-21 EP disclosed
US-20050213171-A1 Method of exposure recording on a planographic printing plate and an apparatus for practicing the method FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed
US-20050191581-A1 Planographic printing method and planographic printing plate precursor used therein FUJI PHOTO FILM CO., LTD. 2005-09-01 US disclosed
EP-1566267-A2 Planographic printing method and planographic printing plate precursor used therein FUJI PHOTO FILM CO., LTD. (JP) 2005-08-24 EP disclosed
US-20050064325-A1 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. 2005-03-24 US disclosed