SCHEMBL27169

SCHEMBL27169

C=CCc1ccccc1S(=O)(=O)[O-].C=CCc1ccccc1S(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
GABRA1 known ✓ P14867 2/20 0.39
GABRB2 known ✓ P47870 2/20 0.39
MMP1 known ✓ P03956 1/20 0.32
MMP8 known ✓ P22894 1/20 0.32
MMP13 known ✓ P45452 1/20 0.32
PTGS1 known ✓ P23219 1/20 0.32
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
MMP16 P51512 1/20 0.32
CA12 O43570 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
SCHEMBL9318287 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL11667568 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL17165112 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL239504 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL9318297 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
Potassium Ion SCHEMBL1373901 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
Zinc Ion SCHEMBL3800912 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
SCHEMBL18139925 0.96 POLB (0.41) POLBGABRA1GABRB2CNR2MEN1
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 4560 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118252151-A Weeding composition and application thereof 泸州东方农化有限公司 2024-06-28 CN claimed
CN-118235773-A Phenoxycarb nanoemulsion and preparation and application thereof 北京颖泰嘉和生物科技股份有限公司 2024-06-25 CN claimed
CN-114631535-B Composition and method for preventing and controlling breeding field fly larvae 江苏扬农化工股份有限公司 2024-06-07 CN claimed
CN-118146854-A Lubricating oil composition for gas engine, preparation method and application 中国石油天然气股份有限公司 2024-06-07 CN claimed
CN-118140937-A Mixed weeding composition containing thidiazuron and isoproturon and application thereof 山东胜邦绿野化学有限公司 2024-06-07 CN claimed
WO-2024109432-A1 INSECTICIDAL AND ACARICIDAL AGENT AND USE THEREOF 沈阳中化农药化工研发有限公司 2024-05-30 WO claimed
CN-118077701-A Insecticidal and acaricidal preparation and application thereof 沈阳中化农药化工研发有限公司 2024-05-28 CN claimed
CN-118084036-A Preparation method of monodisperse nanoscale calcium fluoride 上海太洋科技有限公司 2024-05-28 CN claimed
CN-115746937-B Diesel engine oil detergent composition and diesel engine oil composition 中国石油天然气股份有限公司 2024-05-28 CN claimed
CN-114903050-B Insecticidal composition containing permethrin and beta-cypermethrin and application thereof 江苏扬农化工股份有限公司 2024-05-28 CN claimed
US-4310520-A POWDERED CELLULOSE ABSORBER MIKASA CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 1982-01-12 US claimed
US-4302342-A FROM SULFUR, ALKYLPHENOL, MAGNESIUM AND/OR CALCIUM ALKYLBENZENESULFONATE, CARBON DIOXIDE, BASE, GLYCOL OROGIL (FR) 1981-11-24 US claimed
EP-0006796-B1 PROCESS FOR THE PREPARATION OF OVERBASED METALLIFEROUS DETERGENT-DISPERSANT AGENTS FOR LUBRICATING OILS AND PRODUCT OBTAINED OROGIL (FR) 1981-11-04 EP claimed
US-4293431-A OVERBASED COMPOUNDS; OIL ADDITIVES OROGIL (FR) 1981-10-06 US claimed
EP-0007260-B1 PROCESS FOR THE PREPARATION OF METALLIFEROUS DETERGENT-DISPERSANT ADDITIVES OF HIGH ALKALI CONTENT, ESPECIALLY FOR LUBRICATING OILS, AND PRODUCT OBTAINED OROGIL (FR) 1981-09-23 EP claimed
EP-0009503-A1 TETRACHLOROISOPHTHALONITRILE DISPERSION DIAMOND SHAMROCK CORPORATION (US) 1980-04-16 EP claimed
WO-1979000654-A1 TETRACHLOROISOPHTHALONITRILE DISPERSION DIAMOND SHAMROCK CORP (US) 1979-09-06 WO claimed
US-4131551-A REACTION PRODUCT OF AN ALKYLPHENOL, FORMALDEHYDE, AND A POLYAMINE STANDARD OIL COMPANY (US) 1978-12-26 US claimed
US-3966620-A ALKENYLSUCCINIC ACID OR ANHYDRIDE AND TRISHYDROXYMETHYLAMINOMETHANE REACTION PRODUCT, BI-NAPHTHOL MOBIL OIL CORPORATION (US) 1976-06-29 US claimed
US-3945955-A OPEN-CELLED FOAMS BY MECHANICAL WHIPPING DIAMOND SHAMROCK CORPORATION (US) 1976-03-23 US claimed