SCHEMBL27061

SCHEMBL27061

C=CCc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.46

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
GABRA1 known ✓ P14867 1/20 0.39
GABRB2 known ✓ P47870 1/20 0.39
P2RY2 known ✓ P41231 1/20 0.33
P2RY4 known ✓ P51582 1/20 0.33
POLB P06746 1/20 0.41
PKLR P30613 2/20 0.34
RAD51 Q06609 2/20 0.33
CNR2 P34972 1/20 0.33
FTO Q9C0B1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DUSP5 Q16690 1/20 0.32
PTPN1 P18031 1/20 0.32
PGAM1 P18669 1/20 0.32

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
SCHEMBL17165112 1.00 POLB (0.41) POLBGABRA1GABRB2PKLRRAD51
SCHEMBL9318287 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2P2RY2
SCHEMBL18139925 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL11667568 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL239504 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL9318297 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
Zinc Ion SCHEMBL3800912 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
Potassium Ion SCHEMBL1373901 0.96 POLB (0.41) POLBGABRA1GABRB2RAD51CNR2
Lithium Ion SCHEMBL7217601 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL3806657 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1

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 30629 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118362459-A Method for rapidly predicting viscosity of graphite 江苏载驰科技股份有限公司 2024-07-19 CN claimed
CN-116601274-B Granular detergent composition 花王株式会社 2024-07-16 CN claimed
CN-118344940-A Fabric liquid detergent composition with anti-redeposition, soil release and softening effects 纳爱斯浙江科技有限公司 2024-07-16 CN claimed
CN-114143922-B Graphene electrothermal film slurry, preparation method thereof and electrothermal film 烯泽新材料科技(江阴)有限公司 2024-07-16 CN claimed
CN-118344939-A Washing powder composition with antistatic and decontaminating functions and preparation method thereof 纳爱斯浙江科技有限公司 2024-07-16 CN claimed
CN-118324132-A Method for preparing high-dispersity graphene slurry by adopting inert graphene 东华工程科技股份有限公司 2024-07-12 CN claimed
CN-107672006-B Preparation and maintenance method of cement foaming material 河北慧水新材料科技发展有限公司 2024-07-12 CN claimed
US-20240225990-A9 PRODUCTION PROCESS OF A CONVENIENT AND QUICK-ADHESIVE EYELASHES QINGDAO HOMAY EYELASHES CO LTD (CN) 2024-07-11 US claimed
US-20240234951-A9 COMPOSITE SEPARATOR, LITHIUM BATTERY INCLUDING THE SAME, AND METHOD OF PREPARING THE COMPOSITE SEPARATOR SAMSUNG SDI CO., LTD. (KR) 2024-07-11 US claimed
CN-116769368-B Strong-adhesion type rust paint and preparation method and application thereof 南昌大学 2024-07-05 CN claimed
US-4045236-A WITH AN ALKALI METAL ALKYLBENZENESULFONATE AND A METAL CHLORIDE TO ACCELERATE SETTING TIME I.GE.CO. Z.R.L. (IT) 1977-08-30 US claimed
US-4020031-A POLYTHIOETHERS, ANIONIC SURFACTANT PHILLIPS PETROLEUM COMPANY (US) 1977-04-26 US claimed
US-4007125-A ALKALI METAL ACYL ISETHIONATE, SODIUM ALKANESULFONATE, FATTY ACID SOAP LEVER BROTHERS COMPANY (US) 1977-02-08 US claimed
US-3983078-A Oil removal detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1976-09-28 US claimed
US-3963634-A SODIUM PERCARBONATE, PARTICLE SIZES KAO SOAP CO., LTD. (JA) 1976-06-15 US claimed
US-3959235-A DI-INDOLYL COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-05-25 US claimed
US-3957661-A Fabric softening laundry detergent containing organic esters of phosphoric acid COLGATE-PALMOLIVE COMPANY (US) 1976-05-18 US claimed
US-3951877-A Heavy-duty granular detergent composition with sodium citrate builder LION FAT & OIL CO., LTD. (JA) 1976-04-20 US claimed
US-3952099-A MICROBIOCIDE, SUGAR ESTER, SULFOXIDE THE PROCTER & GAMBLE COMPANY (US) 1976-04-20 US claimed
US-3936268-A ANIONIC SURFACTANT SYNERGISTIC MIXTURE OF ALKYL SULFONATE AND ALKYL ARYL SULFONATE DIAMOND SHAMROCK CORPORATION (US) 1976-02-03 US claimed