SCHEMBL254322

SCHEMBL254322

CCCCCN(C)CCC(=O)[O-].[Na+]

nearest known ligand 0.56

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 19)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.56
KDM5A P29375 5/20 0.49
KDM4C Q9H3R0 3/20 0.49
KDM5C P41229 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
FFAR3 O14843 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
PHF8 Q9UPP1 1/20 0.47
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
NFKB1 P19838 1/20 0.47
BBOX1 O75936 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
FABP3 P05413 2/20 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
SCHEMBL4066319 0.98 CA1 (0.54) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11586005 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
Zinc Ion SCHEMBL11585982 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11587390 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11586076 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11586043 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11585240 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11586720 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11586679 0.94 KDM4C (0.50) CA1KDM5AKDM4CKDM5CKDM5B
SCHEMBL11584730 0.90 CA1 (0.52) CA1KDM5AKDM4CKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2250819-A None JP disclosed
US-10844145-B2 Method for producing an electrode material EVONIK OPERATIONS GMBH (DE) 2020-11-24 US disclosed
US-20190177445-A1 METHOD FOR PRODUCING AN ELECTRODE MATERIAL EVONIK DEGUSSA GMBH (DE) 2019-06-13 US disclosed
US-8779087-B2 Method for producing aliphatic polycarbonate SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-07-15 US disclosed
EP-1752474-B1 METHOD FOR PRODUCING CROSSLINKED POLY(METH)ACRYLATE COMPOUND SUMITOMO SEIKA CHEMICALS (JP) 2013-06-12 EP disclosed
US-20120123066-A1 METHOD FOR PRODUCING ALIPHATIC POLYCARBONATE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-05-17 US disclosed
EP-2433976-A1 METHOD FOR PRODUCING ALIPHATIC POLYCARBONATE Sumitomo Seika Chemicals CO. LTD. (JP) 2012-03-28 EP disclosed
US-8088874-B2 Crosslinked (meth)acrylic acid copolymer and secondary-cell electrode employing the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-01-03 US disclosed
EP-2042523-B1 CROSSLINKED (METH)ACRYLIC ACID COPOLYMER AND SECONDARY-CELL ELECTRODE EMPLOYING THE SAME SUMITOMO SEIKA CHEMICALS (JP) 2011-04-13 EP disclosed
US-7816457-B2 Method for producing crosslinked poly(meth)acrylate compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2010-10-19 US disclosed
US-20090306304-A1 CROSSLINKED (METH)ACRYLIC ACID COPOLYMER AND SECONDARY-CELL ELECTRODE EMPLOYING THE SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2009-12-10 US disclosed
EP-2042523-A1 CROSSLINKED (METH)ACRYLIC ACID COPOLYMER AND SECONDARY-CELL ELECTRODE EMPLOYING THE SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2009-04-01 EP disclosed
US-20080319149-A1 Method for Producing Crosslinked Poly (Meth) Acrylate Compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2008-12-25 US disclosed
EP-1752474-A1 METHOD FOR PRODUCING CROSSLINKED POLY(METH)ACRYLATE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2007-02-14 EP disclosed
US-5714294-A A SHELL-CORE CROSSLINKED COPOLYMER PARTICLES COMPRISING A VINYL MONOMER AND AN ACRYLIC ACID ESTER AND/OR METHACRYLIC ACID ESTER OR DIENE MONOMERS; FIXABLE AT LOW TEMPERATURE, IMPACT STRENGTH, STABILITY, DURABILITY KAO CORPORATION (JP) 1998-02-03 US disclosed
EP-0737899-A1 ELECTROPHOTOGRAPHIC TONER AND REINFORCEMENT THEREFOR Kao Corporation (JP) 1996-10-16 EP disclosed
JP-H02250819-A SKIN DETERGENT COMPOSITION KANEBO LTD 1990-10-08 JP disclosed