SCHEMBL8960019

SCHEMBL8960019

O=C1C(=O)c2cc3ccccc3cc2C=C1S(=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 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.37
P2RY2 known ✓ P41231 1/20 0.33
THRB known ✓ P10828 1/20 0.31
PPARG known ✓ P37231 1/20 0.31
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
PTPN1 P18031 3/20 0.46
PKLR P30613 5/20 0.36
LMNA P02545 2/20 0.34
PGAM1 P18669 2/20 0.33
ENTPD1 P49961 1/20 0.33
FTO Q9C0B1 1/20 0.32
GAPDH P04406 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSTP1 P09211 1/20 0.32
CES2 O00748 2/20 0.31
BCHE P06276 2/20 0.31
CES1 P23141 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL7533036 0.81 PTGS2 (0.34) PTGS2LMNAPGAM1GAPDHGSTP1
SCHEMBL11359524 0.80 PTPN1 (0.55) PTPN1PKLRLMNAPGAM1FTO
SCHEMBL8063335 0.77 LMNA (0.40) PTPN1PKLRLMNAFTOKDM4E
Phosphoric Acid SCHEMBL10610389 0.77 GPR84 (0.36) PTPN1PTGS2LMNAPGAM1GAPDH
Potassium Ion SCHEMBL17361036 0.77 PTPN1 (0.50) PTPN1PKLRLMNAPGAM1CES2
SCHEMBL9473429 0.77 CDC25A (0.42) PTGS2LMNAGAPDHGSTP1CES2
SCHEMBL30805652 0.73 GSTP1 (0.38) PTGS2LMNAGAPDHGSTP1CES2
SCHEMBL3132658 0.73 MEN1 (0.34) PTGS2LMNAGAPDHL3MBTL1GSTP1
SCHEMBL2059539 0.73 ALDH1A1 (0.38) LMNAGAPDHL3MBTL1GSTP1CES2
SCHEMBL227263 0.73 SLC2A1 (0.39) PTPN1PTGS2LMNAGAPDHGSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221320-A1 Process for preparing chloroprene polymers BAYER AG (DE) 1987-05-13 EP claimed
CN-119615422-B Preparation method of high-temperature-resistant polyacrylonitrile-based carbon fiber and application of high-temperature-resistant polyacrylonitrile-based carbon fiber in fireproof fabric 浙江台州晶臻科技有限公司 2025-05-27 CN disclosed
CN-119615422-A Preparation method of high-temperature-resistant polyacrylonitrile-based carbon fiber and application of high-temperature-resistant polyacrylonitrile-based carbon fiber in fireproof fabric 浙江台州晶臻科技有限公司 2025-03-14 CN disclosed
US-10109428-B2 Process to improve coverage and electrical performance of solid electrolytic capacitors KEMET ELECTRONICS CORPORATION (US) 2018-10-23 US disclosed
US-20170338048-A1 Process to Improve Coverage and Electrical Performance of Solid Electrolytic Capacitors KEMET ELECTRONICS CORPORATION 2017-11-23 US disclosed
US-9761378-B2 Process to improve coverage and electrical performance of solid electrolytic capacitors KEMET ELECTRONICS CORPORATION (US) 2017-09-12 US disclosed
US-9761347-B2 Process to improve coverage and electrical performance of solid electrolytic capacitor KEMET ELECTRONICS CORPORATION (US) 2017-09-12 US disclosed
US-20160293339-A1 Process to Improve Coverage and Electrical Performance of Solid Electrolytic Capacitors KEMET ELECTRONICS CORPORATION 2016-10-06 US disclosed
US-20160211082-A1 Process to improve coverage and electrical performance of solid electrolytic capacitor KEMET ELECTRONICS CORPORATION 2016-07-21 US disclosed
US-20140301022-A1 Process for Producing Electrolytic Capacitors and Capacitors Made Thereby KEMET ELECTRONICS CORPORATION 2014-10-09 US disclosed
US-5306740-A Reacting aqueous chlorine-substituted polybutadiene latex with brominating agent in presence of free radical catalyst and/or light in acidic aqueous phase BAYER AKTIENGESELLSCHAFT (DE) 1994-04-26 US disclosed
EP-0566955-A1 Process for the bromination of a chloro-substituted polybutadiene BAYER AG (DE) 1993-10-27 EP disclosed
US-4975501-A EMULSION POLYMERIZING IN THE PRESENCE OF ABIETIC ACID SALT AND DODECYL BENZENE SULPHONATE BAYER AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
US-4933394-A Modified electrically conductive polymers EIC LABORATORIES, NORWOOD, MA, A CORP OF MA 1990-06-12 US disclosed
US-4857616-A XANTHOGEN DISULFIDE FOR MOLECULAR WEIGHT CONTROL AND TETRAALKYLTHIURAM DISULFIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0236772-A1 Process for preparing polychloroprene BAYER AG (DE) 1987-09-16 EP disclosed
EP-0235636-A1 Process for polymerizing chloroprene BAYER AG (DE) 1987-09-09 EP disclosed
EP-0221320-A1 Process for preparing chloroprene polymers BAYER AG (DE) 1987-05-13 EP disclosed
EP-0078456-A1 Preparation of sulphur-modified solid chloroprene rubber BAYER AG (DE) 1983-05-11 EP disclosed
US-3933986-A Process for producing carbon fibers JAPAN EXLAN COMPANY LIMITED (JA) 1976-01-20 US disclosed