SCHEMBL9814933

SCHEMBL9814933

O=S(=O)([O-])C1=CC=CC1.O=S(=O)([O-])C1=CC=CC1.[Na+].[Na+]

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13877398 0.73
SCHEMBL7175242 0.71 PTPN1 (0.32)
SCHEMBL14853191 0.67
SCHEMBL21162167 0.66 HTR6 (0.50) TDP1
Benzene SCHEMBL7642237 0.64
SCHEMBL618401 0.64
SCHEMBL28080435 0.62
SCHEMBL3842798 0.56
SCHEMBL1222047 0.56
SCHEMBL3662425 0.56

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101316665-B Component for casting production and method for producing same KAO CORP 2011-04-27 CN claimed
CN-101316665-B Component for casting production and method for producing same KAO CORP 2011-04-27 CN disclosed
CN-101316665-A Component for casting production and method for producing same KAO CORP (JP) 2008-12-03 CN disclosed
EP-0207713-B1 CORROSION INHIBITING SYSTEM CONTAINING ALKOXYLATED AMINES TEXACO DEVELOPMENT CORPORATION (US) 1991-09-11 EP disclosed
US-4636256-A Corrosion inhibiting system containing alkoxylated amines TEXACO INC. (US) 1987-01-13 US disclosed
EP-0207713-A2 Corrosion inhibiting system containing alkoxylated amines TEXACO DEVELOPMENT CORPORATION (US) 1987-01-07 EP disclosed
EP-0161360-A1 Salts of dicyclopentadiene sulfonate and method of preparing TEXACO DEVELOPMENT CORPORATION (US) 1985-11-21 EP disclosed
US-4518038-A ENHANCED OIL RECOVERY SURFACTANTS TEXACO INC. (US) 1985-05-21 US disclosed
US-4516635-A Method of extracting and reutilizing surfactants from emulsions with sulfonated alkyl benzenes and alcohols TEXACO INC. (US) 1985-05-14 US disclosed
US-4513820-A ALKALI METAL AND AMMONIUM SALTS OF SULFONATES TEXACO INC. (US) 1985-04-30 US disclosed
US-4454074-A FOR CORROSION CONTROL AND ENHANCED OIL RECOVERY TEXACO INC. (US) 1984-06-12 US disclosed
US-4435361-A HYDROGEN SULFIDE PITTING IN OIL FIELDS TEXACO INC. (US) 1984-03-06 US disclosed