SCHEMBL610050

SCHEMBL610050

CCCCCCCCCCCCNCCNCC(=O)[O-].[Na+]

nearest known ligand 0.50

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 11)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.48
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
S1PR2 O95136 5/20 0.47
S1PR4 O95977 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
FABP3 P05413 5/20 0.47
S1PR5 Q9H228 1/20 0.47
EPHX1 P07099 3/20 0.45
GPR84 Q9NQS5 1/20 0.44

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
Dodicin SCHEMBL29987916 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL6660469 0.96 CA1 (0.52) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL22534532 0.96 CA1 (0.52) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL1115447 0.96 CA1 (0.52) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL1490963 0.96 CA1 (0.52) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL321998 0.94 CA1 (0.54) ALDH1A1TSHRCA1FABP3EPHX1
SCHEMBL10484717 0.92 FABP3 (0.50) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL11627739 0.92 FABP3 (0.50) ALDH1A1TSHRCA1S1PR2S1PR4
SCHEMBL29543143 0.92 FABP3 (0.50) ALDH1A1TSHRCA1S1PR2S1PR4
Potassium Ion SCHEMBL6660182 0.92 FABP3 (0.53) ALDH1A1TSHRCA1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11817607-B2 Membrane electrode assembly and polymer electrolyte fuel cell TOPPAN PRINTING CO., LTD. (JP) 2023-11-14 US disclosed
EP-3955350-A1 MEMBRANE ELECTRODE ASSEMBLY AND POLYMER ELECTROLYTE FUEL CELL Toppan Printing Co., Ltd. (JP) 2022-02-16 EP disclosed
US-20220021014-A1 MEMBRANE ELECTRODE ASSEMBLY AND POLYMER ELECTROLYTE FUEL CELL TOPPAN PRINTING CO., LTD. (JP) 2022-01-20 US disclosed
EP-2549572-B1 PROCESS FOR PRODUCTION OF CATHODE CATALYST LAYER FOR FUEL CELL, CATHODE CATALYST LAYER, AND MEMBRANE ELECTRODE ASSEMBLY FOR SOLID POLYMER FUEL CELL TOPPAN PRINTING CO LTD (JP) 2019-03-13 EP disclosed
US-9160008-B2 Cathode catalyst layer, manufacturing method thereof and membrane electrode assembly TOPPAN PRINTING CO., LTD (JP) 2015-10-13 US disclosed
US-8663867-B2 Method of manufacturing a membrane electrode assembly, membrane electrode assembly and fuel cell TOPPAN PRINTING CO., LTD. (JP) 2014-03-04 US disclosed
EP-1906473-B1 ELECTRODE PASTE FOR USE IN SOLID POLYMER FUEL CELL JSR CORP (JP) 2014-02-12 EP disclosed
US-20130216700-A1 MANUFACTURING METHOD OF ELECTRODE CATALYST LAYER TOPPAN PRINTING CO., LTD. (JP) 2013-08-22 US disclosed
US-8399148-B2 Varnish for a solid polymer fuel cell JSR CORPORATION (JP) 2013-03-19 US disclosed
EP-1947717-B1 ELECTRODE CATALYST LAYER JSR CORP (JP) 2013-02-13 EP disclosed
US-20100062308-A1 Membrane Electrode Assembly, Manufacturing Method Thereof and Fuel Cell TOPPAN PRINTING CO., LTD. (JP) 2010-03-11 US disclosed
US-7651802-B2 proton conductive membrane and electrode layers comprising the polymer electrolyte which is an aromatic polyether copolymer containing firast monomer with sulfonic acid group and second monomer without protonic acid group; used for example in fuel cells, water electrolysis, gas or humidity sensor JSR CORPORATION (JP) 2010-01-26 US disclosed
US-20090134360-A1 ELECTRODE CATALYST LAYER JSR CORPORATION (JP) 2009-05-28 US disclosed
US-20090130526-A1 ELECTRODE ELECTROLYTE FOR USE IN SOLID POLYMER FUEL CELL JSR CORPORATION (JP) 2009-05-21 US disclosed
EP-1947717-A1 ELECTRODE CATALYST LAYER JSR Corporation (JP) 2008-07-23 EP disclosed
EP-1906473-A1 ELECTRODE ELECTROLYTE FOR USE IN SOLID POLYMER FUEL CELL JSR Corporation (JP) 2008-04-02 EP disclosed
US-20070015041-A1 Membrane-electrode assemblies JSR CORPORATION 2007-01-18 US disclosed
US-20060216566-A1 Solid polymer electrolyte, proton conductive membrane, electrode electrolyte, electrode paste and membrane-electrode assembly JSR CORPORATION 2006-09-28 US disclosed
US-20050026029-A1 Process of producing electrode paste and electrode paset compositon JSR CORPORATION 2005-02-03 US disclosed
EP-1503439-A2 Process of producing electrode paste and electrode paste composition JSR Corporation (JP) 2005-02-02 EP disclosed