SCHEMBL37571

SCHEMBL37571

CC(C)Cc1cc2ccccc2c(S(=O)(=O)[O-])c1CC(C)C.[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 13)

geneUniProtsupporting neighboursconfidence
NR3C1 known ✓ P04150 1/20 0.32
NR1I2 O75469 1/20 0.35
ENTPD1 P49961 1/20 0.33
ENTPD2 Q9Y5L3 1/20 0.33
PTGER1 P34995 1/20 0.33
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
CYP2D6 P10635 1/20 0.31
GPR35 Q9HC97 1/20 0.31
ELANE P08246 1/20 0.31
HTR6 P50406 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29460462 1.00 NR1I2 (0.35) NR1I2ENTPD1ENTPD2PTGER1NR3C1
Potassium Ion SCHEMBL23749083 0.97 NR1I2 (0.33) NR1I2ENTPD1ENTPD2PTGER1NR3C1
SCHEMBL6023749 0.89 GPR35 (0.34) NR1I2ENTPD1ENTPD2PTGER1NR3C1
SCHEMBL9219851 0.85 RECQL (0.44) NR1I2
SCHEMBL29720 0.84 CYP2D6 (0.43) NR3C1PGRNR3C2GPR84CYP2D6
SCHEMBL29364308 0.84 CYP2D6 (0.43) NR3C1PGRNR3C2GPR84CYP2D6
SCHEMBL7559395 0.83 CA2 (0.35) NR3C1PGRNR3C2
Ammonia Solution, Strong SCHEMBL23749174 0.83 CYP2D6 (0.43) NR3C1PGRNR3C2GPR84CYP2D6
SCHEMBL10659453 0.83 CYP2D6 (0.43) NR3C1PGRNR3C2GPR84CYP2D6
SCHEMBL10890143 0.83 CYP2D6 (0.43) NR3C1PGRNR3C2GPR84CYP2D6

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

Appears in 3627 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250359549-A1 PESTICIDE BACTERICIDAL COMPOSITION, WATER DISPERSIBLE GRANULE AND PREPARATION METHOD AND USE THEREOF QINGDAO RAINBOW CHEMICAL CO., LTD. (CN) 2025-11-27 US claimed
CN-116420721-B Pesticide sterilization composition, water dispersible granule, and preparation method and application thereof 青岛润农化工有限公司 2025-05-30 CN claimed
CN-119655258-A Water emulsion-suspension type pretilachlor herbicide and preparation method and application thereof 湖南省核农学与航天育种研究所 2025-03-21 CN claimed
CN-119655273-A Methomyl soluble powder and preparation method and application thereof 山东潍坊润丰化工股份有限公司 2025-03-21 CN claimed
CN-116102693-B Conditioning acrylic acid suspension thickener, preparation method, composition containing conditioning acrylic acid suspension thickener, preparation method and application 万华化学集团股份有限公司 2025-02-18 CN claimed
CN-119352303-A PVC frosted glove and preparation method thereof 南通强生新材料科技股份有限公司 2025-01-24 CN claimed
CN-118460193-B Water-soluble temporary plugging agent for oil-water well acidizing and fracturing and production process thereof 陕西华天能源科技有限公司 2024-10-15 CN claimed
CN-118460193-A Water-soluble temporary plugging agent for oil-water well acidizing and fracturing and production process thereof 陕西华天能源科技有限公司 2024-08-09 CN claimed
CN-117923533-B Preparation method of nano calcium carbonate with high oil absorption value 山东宇信纳米科技有限公司 2024-07-19 CN claimed
CN-118344175-A Aerated concrete produced by utilizing solid waste and production method thereof 河南建筑材料研究设计院有限责任公司 2024-07-16 CN claimed
US-20070087093-A1 Antimicrobial salt solutions for food safety applications CARGILL, INCORPORATED 2007-04-19 US claimed
US-5747025-A SPORE-CRYSTAL COMPLEX FROM BACILLUS THURINGIENSIS AGRICULTURAL GENETICS CO., LTD. (GB) 1998-05-05 US claimed
US-5501852-A NATURAL INSECTICIDE FOR AGRICULTURAL USE AGRICULTURAL GENETICS COMPANY LIMITED (GB) 1996-03-26 US claimed
EP-0199735-B1 DISINFECTANT AND CLEANSING COMPOSITIONS FARRISH, Bryan Harold (legal representative of FARRISH, James H. (deceased)) (US) 1991-05-08 EP claimed
US-4868213-A Disinfectant and cleansing compositions FHJ AMINO ACID FORMULA TRUST (US) 1989-09-19 US claimed
US-4767786-A Disinfectant and cleansing composition FHJ AMINO ACID FORMULA TRUST (US) 1988-08-30 US claimed
EP-0199735-A4 DISINFECTANT AND CLEANSING COMPOSITIONS. FARRISH BRYAN HAROLD (US) 1987-03-30 EP claimed
EP-0199735-A1 DISINFECTANT AND CLEANSING COMPOSITIONS. FARRISH BRYAN HAROLD LEGAL REP (US) 1986-11-05 EP claimed
WO-1986002549-A1 DISINFECTANT AND CLEANSING COMPOSITIONS FARRISH, Bryan, Harold (legal representative of FA (US) 1986-05-09 WO claimed
US-3994943-A ANIONIC SURFACTANTS HUNT-WESSON FOODS, INC. (US) 1976-11-30 US claimed