SCHEMBL1168489

SCHEMBL1168489

O=S(=O)([O-])c1cccc2ccccc12.O=S(=O)([O-])c1cccc2ccccc12.[Ca+2]

nearest known ligand 0.61

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
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
F2 P00734 3/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
HTR6 P50406 2/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCRTR1 O43613 1/20 0.45
TSHR P16473 2/20 0.44
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL31134724 1.00 CA1 (0.61) CA1CA2CA9F2PRSS1
Formaldehyde SCHEMBL29980301 0.96 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL5684924 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL4888590 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL4886341 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
Potassium Ion SCHEMBL10962719 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL1948673 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL295200 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
Zinc Ion SCHEMBL1683962 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1
Potassium Ion SCHEMBL1305040 0.96 CA1 (0.61) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396055-A Ecological artificial stone with silt as main material and preparation method thereof 浙江星创环保有限公司 2023-07-07 CN claimed
CN-116282783-A Sludge pretreatment method for building materials 浙江星创环保有限公司 2023-06-23 CN claimed
CN-115433376-A Preparation method of long-acting disinfection and sterilization fabric or fiber 孙国明 2022-12-06 CN claimed
CN-113998928-A Environment-friendly micro-expansion waterproof building glue and use method thereof 鞍钢建设集团有限公司 2022-02-01 CN claimed
CN-108026468-B Seal swell agents for lubricating compositions 路博润公司 2021-06-18 CN claimed
EP-3328973-B1 SEAL SWELL AGENTS FOR LUBRICATING COMPOSITIONS LUBRIZOL CORP (US) 2020-07-01 EP claimed
US-10669504-B2 Seal swell agents for lubrication compositions THE LUBRIZOL CORPORATION (US) 2020-06-02 US claimed
US-10611981-B2 Mixed phosphorus esters for lubricant applications THE LUBRIZOL CORPORATION (US) 2020-04-07 US claimed
US-20180282654-A1 MIXED PHOSPHORUS ESTERS FOR LUBRICANT APPLICATIONS THE LUBRIZOL CORPORATION 2018-10-04 US claimed
US-20180223214-A1 SEAL SWELL AGENTS FOR LUBRICATING COMPOSITIONS THE LUBRIZOL CORPORATION 2018-08-09 US claimed
EP-2098492-A2 ADDITIVE FOR THE PRODUCTION OF PERVIOUS ECOLOGICAL CONCRETE HAVING A HIGH RESISTANCE TO COMPRESSION, BENDING AND ABRASION AND THE PRODUCTION METHOD THEREOF de Buen Unna, Néstor (MX) 2009-09-09 EP claimed
US-6824605-B2 MIXTURE OF DISPERSING AGENTS; HUMECTANT; HYDROXYPROPYL ETHYL OR METHYL CELLULOSE; AND FROM ABOUT 55.8% TO 64.2% BY WEIGHT OF A HIGHLY REACTIVE NON CRYSTALLINE CALCINATED SILICA ALUMINATE. DE BUEN-UNNA NESTOR (MX) 2004-11-30 US claimed
US-6660077-B2 Dispersant; humectant; hydroxypropyl methyl (or ethyl) cellulose; a highly reactive non-crystalline calcinated silicon aluminate; optionally a nonionic surfactant, bactericide and antifoam agent DE BUEN-UNNA NESTOR (MX) 2003-12-09 US claimed
US-20030150362-A1 Additive for the preparation of ecological permeable concretes with high compression, bending and abrasion resistance, and production process DE BUEN-UNNA NESTOR (MX) 2003-08-14 US claimed
US-20030061970-A1 Additive for the preparation of ecological permeable concretes with high compression, bending and abrasion resistance, and production process DE BUEN-UNNA NESTOR (MX) 2003-04-03 US claimed
US-5629368-A WATER, SODIUM SILICATE, ACRYLIC POLYMER NALCO CANADA, INC. (CA) 1997-05-13 US claimed
US-5484834-A Liquid slurry of bentonite NALCO CANADA INC. (CA) 1996-01-16 US claimed
EP-0184346-B1 PROCESS FOR PRODUCING CEMENT SHAPINGS FROM HYDRAULIC CEMENT COMPOSITION MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-09-06 EP claimed
US-4684407-A Hydraulic cement composition and process for producing cement shapings MITSUBISHI YUKA FINE CHEMICALS CO., LTD. (JP) 1987-08-04 US claimed
EP-0184346-A1 Process for producing cement shapings from hydraulic cement composition MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-06-11 EP claimed