SCHEMBL7784950

SCHEMBL7784950

O=S(=O)([O-])c1cccc(S(=O)(=O)[O-])c1O.[Na+].[Na+]

nearest known ligand 0.50

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
PTGS1 known ✓ P23219 1/20 0.43
THRB known ✓ P10828 1/20 0.42
DUSP5 Q16690 4/20 0.50
PTPN1 P18031 5/20 0.46
PKLR P30613 4/20 0.46
PGAM1 P18669 2/20 0.46
NR4A1 P22736 1/20 0.42
DUSP6 Q16828 1/20 0.39
CDK2 P24941 1/20 0.39
TTR P02766 1/20 0.38
SLC10A1 Q14973 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
GPR35 Q9HC97 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
DNMT1 P26358 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL452424 0.89 DUSP5 (0.50) DUSP5PTPN1PKLRPGAM1PTGS1
SCHEMBL11199053 0.89 DUSP5 (0.50) DUSP5PTPN1PKLRPGAM1PTGS1
SCHEMBL169264 0.85 ALDH1A1 (0.50) DUSP5PTPN1PKLRPGAM1PTGS1
SCHEMBL9509844 0.84 NR4A1 (0.50) DUSP5PTPN1PKLRPGAM1PTGS1
SCHEMBL9805973 0.84 PTGS1 (0.48) DUSP5PTPN1PKLRPGAM1PTGS1
Lithium Ion SCHEMBL29083050 0.84 DUSP5 (0.46) DUSP5PTPN1PKLRPGAM1PTGS1
Potassium Ion SCHEMBL5191230 0.84 NR4A1 (0.50) DUSP5PTPN1PKLRPGAM1PTGS1
Water SCHEMBL28391333 0.82 PTGS1 (0.47) DUSP5PTPN1PKLRPGAM1PTGS1
Formaldehyde SCHEMBL5402512 0.82 ALDH1A1 (0.46) DUSP5PTPN1PKLRPGAM1PTGS1
Potassium Ion SCHEMBL6642207 0.81 ALDH1A1 (0.50) DUSP5PTPN1PKLRPGAM1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140731-A2 POROUS CERAMIC MATRICES SUITABLE AS CATALYSTS SUPPORT DYTECH CORPORATION LIMITED (GB) 2001-10-10 EP disclosed
WO-2000029353-A2 POROUS CERAMIC MATRICES SUITABLE AS CATALYSTS SUPPORT DYTECH CORPORATION LIMITED (GB) 2000-05-25 WO disclosed
EP-0250219-B1 Method of storing photographic processing solution KONISHIROKU PHOTO IND (JP) 1994-03-30 EP disclosed
EP-0196091-B1 METHOD OF PROCESSING LIGHT-SENSITIVE SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1992-10-28 EP disclosed