SCHEMBL9220309

SCHEMBL9220309

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

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
GRK2 P25098 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
APAF1 O14727 1/20 0.33
DNMT1 P26358 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PPP1CA P62136 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
TSHR P16473 2/20 0.32
TGM2 P21980 1/20 0.31

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
Potassium Ion SCHEMBL7218069 0.97 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Lithium Ion SCHEMBL9224568 0.97 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL363117 0.83 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28067129 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19460685 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28612551 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28061914 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19457651 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19457650 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19460690 0.83 ZDHHC20 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104017457-B Coating composition containing modified tung oil and preparation method thereof 株洲飞鹿高新材料技术股份有限公司 2016-06-22 CN claimed
CN-103936916-B PET film precoating heat is mounted aqueous binder emulsion and preparation method ANHUI DEPU POLYMER MATERIAL CO., LTD. (CN) 2016-05-11 CN claimed
CN-104072665-B Water-based paint compositions and preparation method thereof ZHUZHOU FEILU HIGH-TECH MATERIALS CO., LTD. (CN) 2016-04-06 CN claimed
CN-105367698-A Elastic waterproof emulsion UNIV HUNAN TECH 2016-03-02 CN claimed
CN-103193924-B Phased film forming styrene-acrylic coating emulsion and preparation method HENGSHUI XINGUANG CHEMICAL CO., LTD. (CN) 2016-01-20 CN claimed
CN-103193917-B Method for preparing pure acrylate copolymer coating emulsion for building external wall elastic coating Hengshui xinguang chemical co ltd 2015-03-25 CN claimed
CN-104072665-A Aqueous coating composition and preparation method thereof ZHUZHOU FEILU HIGH TECH MATERIALS CO LTD 2014-10-01 CN claimed
CN-104017457-A Paint composition containing modified tung oil and preparation method thereof ZHUZHOU FEILU HIGH TECH MATERIALS CO LTD 2014-09-03 CN claimed
CN-103936916-A Aqueous binder emulsion for pre-coating and thermally laminating PET film and preparation method thereof ANHUI DEPU POLYMER MATERIAL CO LTD 2014-07-23 CN claimed
CN-103193917-A Method for preparing pure acrylate copolymer coating emulsion for building external wall elastic coating Hengshui xinguang chemical co ltd 2013-07-10 CN claimed
CN-102617771-B Aqueous printing ink binding agent and ink as well as preparation methods thereof Hengshui xinguang chemical co ltd 2013-07-10 CN claimed
CN-103193924-A Phase-control film-formation styrene-acrylate painting emulsion and preparation method thereof Hengshui xinguang chemical co ltd 2013-07-10 CN claimed
CN-102875742-A Manufacturing method of high branching degree acrylamide graft copolymer taking amylopectin as framework YU XIAOQI 2013-01-16 CN claimed
CN-102617771-A Aqueous printing ink binding agent and ink as well as preparation methods thereof LIZHUANG TIAN 2012-08-01 CN claimed
WO-1995001381-A1 POLYMER BLENDS COMPRISING SULFONATE GROUP-CONTAINING SURFACTANTS EASTMAN CHEMICAL COMPANY (US) 1995-01-12 WO claimed
CN-111373014-B Robust alkyl ether sulfate mixtures for enhanced oil recovery 巴斯夫欧洲公司 2023-10-27 CN disclosed
US-11390794-B2 Robust alkyl ether sulfate mixture for enhanced oil recovery BASF SE (DE) 2022-07-19 US disclosed
EP-0456820-A1 PRINT RETAINING COATINGS AND COATING COMPOSITIONS FOR THE PREPARATION THEREOF. EASTMAN KODAK CO (US) 1991-11-21 EP disclosed
WO-1991008513-A2 PRINT RETAINING COATINGS AND COATING COMPOSITIONS FOR THE PREPARATION THEREOF EASTMAN KODAK COMPANY (US) 1991-06-13 WO disclosed
US-4197127-A STABLE FLEXIVLE COATINGS EASTMAN KODAK COMPANY (US) 1980-04-08 US disclosed