SCHEMBL4926822

SCHEMBL4926822

O=S(=O)([O-])CCC(O)Cl.[Na+]

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.45
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
HBB P68871 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BBOX1 O75936 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
SCHEMBL28554323 0.79 ENPEP (0.48) ENPEPKDM4EMAPTALOX15ALDH1A1
SCHEMBL15420731 0.76 ENPEP (0.42) ENPEPKDM4EMAPTALOX15ALDH1A1
SCHEMBL11551437 0.75 ENPEP (0.45) ENPEPKDM4EMAPTALOX15ALDH1A1
SCHEMBL565316 0.75 ENPEP (0.45) ENPEPKDM4EMAPTALOX15ALDH1A1
SCHEMBL28442818 0.75 ENPEP (0.50) ENPEPKDM4EMAPTALOX15ALDH1A1
SCHEMBL27874309 0.74
SCHEMBL1802228 0.74
SCHEMBL5481866 0.73 ENPEP (0.43) ENPEPKDM4EMAPTALOX15ALDH1A1
SCHEMBL1858624 0.72 PTGS1 (0.38) LMNA
SCHEMBL15754444 0.71 ENPEP (0.42) ENPEPKDM4EMAPTALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353892-B Synthetic method of anionic and zwitterionic compound surfactant 广州天赐高新材料股份有限公司 2025-03-28 CN claimed
CN-115895633-B Oil displacement composition and oil displacement system 中国石油天然气股份有限公司 2024-03-26 CN claimed
CN-115895633-A Oil displacement composition and oil displacement system 中国石油天然气股份有限公司 2023-04-04 CN claimed
CN-115353892-A Synthesis method of anion and zwitterion composite surfactant 广州天赐高新材料股份有限公司 2022-11-18 CN claimed
CN-108531157-B Low-cost long-chain mixed betaine and preparation method and application thereof 中国石油天然气股份有限公司 2021-01-01 CN claimed
US-20140113842-A1 BETAINE SURFACTANTS AND PREPARATION METHODS AND USES THEREOF PETROCHINA COMPANY LIMITED (CN) 2014-04-24 US claimed
JP-6009372-A None JP disclosed
CN-120157603-A Ammonium salt and sulfonic acid group substituted diol compound, and preparation method and application thereof 上海工程技术大学 2025-06-17 CN disclosed
CN-115353892-B Synthetic method of anionic and zwitterionic compound surfactant 广州天赐高新材料股份有限公司 2025-03-28 CN disclosed
CN-115677542-B Synthesis method of high-flash-point long-carbon-chain amidopropyl hydroxysulfobetaine 上海银聪新材料科技有限公司 2024-08-27 CN disclosed
CN-115895633-B Oil displacement composition and oil displacement system 中国石油天然气股份有限公司 2024-03-26 CN disclosed
US-20230183515-A1 COATING COMPOSITION, USE AND METHODS FOR MAKING A SUBSTRATE FROST RESISTANT SOLVAY SA (BE) 2023-06-15 US disclosed
CN-115895633-A Oil displacement composition and oil displacement system 中国石油天然气股份有限公司 2023-04-04 CN disclosed
US-9540559-B2 Betaine surfactants and preparation methods and uses thereof PETROCHINA COMPANY LIMITED (CN) 2017-01-10 US disclosed
CN-105566174-A Method for synthesizing betaine by long-chain tertiary amine through normal-pressure anhydrous quaternization PETROCHINA CO LTD 2016-05-11 CN disclosed
US-20140113842-A1 BETAINE SURFACTANTS AND PREPARATION METHODS AND USES THEREOF PETROCHINA COMPANY LIMITED (CN) 2014-04-24 US disclosed
CN-101654421-A Synthesis method of cocamidopropyl-2-hydroxy-3-sulfopropyl betaine ZHEJIANG HECHENG CHEMICAL CO L 2010-02-24 CN disclosed
US-20080045420-A1 Zwitterionic Polymers Comprising Betaine-Type Units And Use Of Zwitterionic Polymers In Drilling Fluids RHODIA CHIMIE (FR) 2008-02-21 US disclosed
US-5534611-A Sulfonated and carboxylated aminoethylenephosphonic acid and aminobis (methylene) phosphinic acid NALCO CHEMICAL COMPANY (US) 1996-07-09 US disclosed
JP-H069372-A BODY DETERGENT COMPOSITION TOHO CHEM IND CO LTD 1994-01-18 JP disclosed