SCHEMBL38568

SCHEMBL38568

O=S(=O)([O-])c1c(-c2ccccc2)cc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.40

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
PTPN1 P18031 2/20 0.40
PTPN6 P29350 1/20 0.40
PELI1 Q96FA3 2/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAD51 Q06609 1/20 0.35
NFE2L2 Q16236 3/20 0.33
TRPA1 O75762 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP19A1 P11511 1/20 0.33
TTR P02766 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
CHAT P28329 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 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
SCHEMBL29595910 1.00 PTPN1 (0.40) PTPN1PTPN6PELI1HTR2AHTR2C
SCHEMBL3045652 0.84 PELI1 (0.39) PTPN1PTPN6PELI1HTR2AHTR2C
SCHEMBL2528155 0.81 PTPN1 (0.44) PTPN1PTPN6PELI1HTR2AHTR2C
SCHEMBL27953957 0.80 PTPN1 (0.43) PTPN1PTPN6PELI1HTR2AHTR2C
SCHEMBL1943908 0.78 HTR2A (0.39) PTPN1PTPN6PELI1HTR2AHTR2C
SCHEMBL28406556 0.75 PTPN1 (0.44) PTPN1PTPN6PELI1HTR2AHTR2C
SCHEMBL28784167 0.75 PELI1 (0.42) PTPN1PTPN6PELI1NFE2L2TRPA1
SCHEMBL2524357 0.74 NFE2L2 (0.42) PTPN1HTR2AHTR2CKCNH2RAD51
(Z)-1,2-Diphenylethene SCHEMBL28675607 0.74 PTPN1 (0.39) PTPN1PTPN6RAD51NFE2L2MAOB
(Z)-1,2-Diphenylethene SCHEMBL29093047 0.72 PTPN1 (0.43) PTPN1PTPN6PELI1RAD51NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9671646-B1 Method for manufacturing eye-protecting liquid crystal display device WUHAN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-06-06 US claimed
EP-2022474-B1 Conditioning composition for hair comprising optical brightener KAO GERMANY GMBH (DE) 2015-10-07 EP claimed
EP-1674070-B1 Conditioning composition for hair comprising optical brightener KPSS KAO GMBH (DE) 2009-06-17 EP claimed
EP-4370638-A1 CATIONIC NONIONIC BLENDS FOR CLEANING OILY SOILS Ecolab USA Inc. (US) 2024-05-22 EP disclosed
US-20230371513-A1 PHOTOSTABLE COMPOSITION AND METHOD OF REDUCING OR CONTROLLING WEED POPULATION APPLYING SAID COMPOSITION UPL DO BRASIL INDUSTRIA E COMERCIO DE INSUMOS AGROPECUARIOS S.A. (BR) 2023-11-23 US disclosed
US-20230099021-A1 CATIONIC NONIONIC BLENDS FOR CLEANING OILY SOILS ECOLAB USA INC. 2023-03-30 US disclosed
WO-2023034951-A1 CATIONIC NONIONIC BLENDS FOR CLEANING OILY SOILS ECOLAB USA INC. (US) 2023-03-09 WO disclosed
CN-108368154-B Polypeptides 诺维信公司 2023-02-03 CN disclosed
CN-108350441-B Polypeptides 诺维信公司 2022-09-27 CN disclosed
US-20220177809-A1 STABILITY AND VISCOSITY IN HIGH ACTIVE HIGH CAUSTIC LAUNDRY EMULSION WITH LOW HLB SURFACTANT ECOLAB USA INC. 2022-06-09 US disclosed
WO-2022120174-A1 IMPROVED STABILITY AND VISCOSITY IN HIGH ACTIVE HIGH CAUSTIC LAUNDRY EMULSION WITH LOW HLB SURFACTANT ECOLAB USA INC. (US) 2022-06-09 WO disclosed
US-20080004204-A1 Solid fabric conditioning compositions and treatment in a dryer ECOLAB USA INC. 2008-01-03 US disclosed
WO-2007149176-A1 FABRIC TREATMENT ARTICLE AND METHODS FOR USING IN A DRYER ECOLAB INC. (US) 2007-12-27 WO disclosed
US-20070244029-A1 Fabric treatment compositions and methods for treating fabric in a dryer LENTSCH STEVEN E 2007-10-18 US disclosed
US-7250393-B2 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB INC. (US) 2007-07-31 US disclosed
US-20060277689-A1 Fabric treatment article and methods for using in a dryer ECOLAB USA INC. 2006-12-14 US disclosed
US-20060183663-A1 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB INC. (US) 2006-08-17 US disclosed
US-7087572-B2 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB INC. (US) 2006-08-08 US disclosed
WO-2005026432-A1 FABRIC TREATMENT COMPOSITIONS AND METHODS FOR TRATING FABRIC IN A DRYER ECOLAB INC. (US) 2005-03-24 WO disclosed
US-20040167056-A1 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB USA INC. 2004-08-26 US disclosed