SCHEMBL67964

SCHEMBL67964

CC(C)c1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.50

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
CA12 known ✓ O43570 1/20 0.44
CA1 known ✓ P00915 1/20 0.44
CA2 known ✓ P00918 1/20 0.44
THRB known ✓ P10828 1/20 0.39
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.49
NR1I2 O75469 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
CA9 Q16790 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TYR P14679 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.40

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
Sulfuric Acid SCHEMBL8103454 0.98 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL8406672 0.98 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EGAA
Hydrogen Peroxide SCHEMBL11036237 0.96 LMNA (0.47) ALDH1A1LMNAMAPTKDM4EGAA
Zinc Ion SCHEMBL1589972 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
Potassium Ion SCHEMBL338736 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL1589913 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL5153019 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
Sulfuric Acid SCHEMBL8078542 0.94 LMNA (0.46) ALDH1A1LMNAMAPTKDM4EGAA
Tetramethylammonium Ion SCHEMBL7046620 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKDM4EGAA
Oxirane SCHEMBL11740446 0.90 MCOLN3 (0.46) ALDH1A1LMNAMAPTKDM4EGAA

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 8637 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743051-A1 3-HYDROXYPROPYLESTERS AS SOLUBILITY ENHANCERS FOR LIPOPHILIC INGREDIENTS Symrise AG (DE) 2026-05-20 EP claimed
US-12630786-B2 Solid composition comprising benzyloxide, sulfonate carrier, and non-hygroscopic acid, and its use in cleaning compositions ECOLAB USA INC. (US) 2026-05-19 US claimed
US-20260125615-A1 ENZYMATIC CAUSTIC FREE DETERGENT COMPOSITIONS FOR CLEANING DAIRY PROCESSING SYSTEMS ECOLAB USA INC (US) 2026-05-07 US claimed
US-20260103806-A1 ALUMINUM CORROSION INHIBITORS FOR CLOSED LOOP SYSTEMS CHEMTREAT, INC. (US) 2026-04-16 US claimed
US-12564546-B2 Self-tanning compositions containing an aromatic sulfonate and methods thereof KAO CORPORATION (JP) 2026-03-03 US claimed
EP-4689040-A1 SOLID BENZYLOXIDE COMPOSITIONS, METHODS OF MAKING, AND USE IN CLEANING Ecolab USA Inc. (US) 2026-02-11 EP claimed
WO-2025242661-A1 RINSE AID COMPOSITION RECKITT BENCKISER FINISH B.V. (NL) 2025-11-27 WO claimed
US-12453352-B2 Fosthiazate pesticide formulations DOW GLOBAL TECHNOLOGIES LLC (US) 2025-10-28 US claimed
US-20250304805-A1 PEELING LIQUID COMPOSITION AND METHOD FOR PRODUCING RECYCLED ALUMINUM SUBSTRATE FUJIFILM BUSINESS INNOVATION CORP. (JP) 2025-10-02 US claimed
US-12415974-B2 Unit-dose concentrated high performance multipurpose cleaning compositions comprising an antimicrobial/disinfectant mixture Korex Canada Company (CA) 2025-09-16 US claimed
US-4529758-A Water based resin dispersions GENERAL ELECTRIC COMPANY (US) 1985-07-16 US claimed
US-4523932-A REMOVAL OF HYDROCARBON SOLVENTS FROM STREAM OF AIR NALCO CHEMICAL COMPANY (US) 1985-06-18 US claimed
US-4518727-A POLYSILOXANE, EMULSIFIER OF CELLULOSE DERIVATIVE AND ANIONIC SURFACTANT GENERAL ELECTRIC COMPANY (US) 1985-05-21 US claimed
US-4477365-A ALKALI METAL HYDROXIDE, FATTY ACID SUBSTITUTED BETAINE, ALPHA-OLEFIN SULFONATE, AND HYDROTROPIC AGENT MILES LABORATORIES, INC. (US) 1984-10-16 US claimed
EP-0116171-A2 A caustic based aqueous cleaning composition MILES INC. (US) 1984-08-22 EP claimed
US-4444573-A SCRUBBING, STRIPPING NALCO CHEMICAL COMPANY (US) 1984-04-24 US claimed
US-4383062-A Waterborne coating compositions GENERAL ELECTRIC (US) 1983-05-10 US claimed
US-4289640-A IMPROVED FOAMING AND DEGREASING PROPERTIES COLGATE-PALMOLIVE COMPANY (US) 1981-09-15 US claimed
US-4042525-A DISINFECTANT DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-08-16 US claimed
US-3997453-A QUATERNARY AMMONIUM, ANIONIC ORGANIC SULFONATE COLGATE-PALMOLIVE COMPANY (US) 1976-12-14 US claimed