SCHEMBL1024286

SCHEMBL1024286

CC(C)Cc1ccc2ccccc2c1S(=O)(=O)[O-].[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 18)

geneUniProtsupporting neighboursconfidence
NR3C1 known ✓ P04150 1/20 0.34
NR1I2 O75469 1/20 0.35
PTGER1 P34995 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NQO2 P16083 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC2A1 P11166 1/20 0.33

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 SCHEMBL23749214 0.97 CYP1A2 (0.34) CYP1A2MAPTCYP2C9CYP2C19NQO2
SCHEMBL11800755 0.85 ESR1 (0.36) NR1I2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7159980 0.84 ATM (0.39) NR1I2MAPTCYP2C9CYP2C19NQO2
SCHEMBL634474 0.83 CYP2D6 (0.40) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL23749171 0.83 SIGMAR1 (0.35) MAPTNQO2KDM4EALDH1A1RXFP1
Potassium Ion SCHEMBL23749169 0.82 ESR1 (0.36) CYP1A2MAPTCYP2C9CYP2C19NQO2
SCHEMBL1203619 0.82 HSD17B10 (0.38) NR1I2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL38655732 0.82 NQO2 (0.38) NR1I2NQO2ALDH1A1SLC2A1
Ammonia Solution, Strong SCHEMBL23749092 0.82 CYP2D6 (0.39) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL4946291 0.82 CYP2D6 (0.39) MAPTCNR1CNR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789486-A Water-soluble anti-caking agent for powdery potassium nitrate with high looseness and long storage period 殷海权 2023-09-22 CN claimed
CN-112321848-B Room temperature vulcanized silicone rubber emulsion for latex products, silicone rubber sponge and preparation method 中国化工株洲橡胶研究设计院有限公司(CN) 2023-01-13 CN claimed
CN-112175203-B Preparation method of natural gutta-percha emulsion 中国化工株洲橡胶研究设计院有限公司 2022-11-22 CN claimed
CN-110862555-B High-temperature silicone rubber emulsion and preparation method and application thereof 中国化工株洲橡胶研究设计院有限公司 2022-08-12 CN claimed
CN-110746647-B Vulcanizing agent emulsion and preparation method and application thereof ZHUZHOU RUBBER RESEARCH & DESIGN INSTITUTE Co.,Ltd. OF CHEMCHINA (CN) 2021-08-31 CN claimed
CN-108892414-B Multifunctional anti-cracking waterproof agent for expanded fibers and preparation method thereof 厦门浩友建材有限公司 2021-06-11 CN claimed
CN-106212467-B Bactericidal composition and application thereof 山东润博生物科技有限公司 2021-05-18 CN claimed
CN-112321848-A Room temperature vulcanized silicone rubber emulsion for latex products, silicone rubber sponge and preparation method 中国化工株洲橡胶研究设计院有限公司 2021-02-05 CN claimed
CN-112251785-A Method for processing special passivated surface of stainless steel 厦门磊峰五金弹簧有限公司 2021-01-22 CN claimed
CN-112175203-A Preparation method of natural gutta-percha emulsion 中国化工株洲橡胶研究设计院有限公司 2021-01-05 CN claimed
CN-105542248-A Graphene modified natural emulsion preparation method and high barrier condom CHONGQING GRAPHENE TECH CO LTD 2016-05-04 CN claimed
CN-104212309-A Silicon carbide coating and preparation method thereof JIANGSU MARINE VICTORY COATING CO LTD 2014-12-17 CN claimed
CN-102585964-B Coal combustion composite nanometer catalyst BEIJING JINYI YUXIN ENERGY TECHNOLOGY CO LTD 2014-02-26 CN claimed
CN-102585964-A Coal combustion composite nanometer catalyst JIAXING ZHONGTAI ENERGY SAVING TECHNOLOGY CO LTD 2012-07-18 CN claimed
CN-101580694-A Environmental-friendly leather glue and preparation method thereof BEIJING DORSUN INT TECHNOLOGY DEVELOPMENT CO LTD (CN) 2009-11-18 CN claimed
CN-101580690-A Leather glue prepared by adopting waste materials and preparation method thereof BEIJING DORSUN INT TECHNOLOGY DEVELOPMENT CO LTD (CN) 2009-11-18 CN claimed
CN-101422156-A Agriculture bactericide composition and production method and use thereof UNIV ZHEJIANG FORESTRY (CN) 2009-05-06 CN claimed
CN-101074348-A Special adhesive for plant fiber elastic material NANFANGHUITONG CO LTD (CN) 2007-11-21 CN claimed
CN-1269912-C Method for preparing liquid active dye stabilizer UNIV DONGHUA (CN) 2006-08-16 CN claimed
US-4188446-A ETHYLENE-VINYL ACETATE LATEX, ALKALI METAL ALKYLNAPHTHALENE SULFONATE JOHNSON & JOHNSON (US) 1980-02-12 US claimed