SCHEMBL1289429

SCHEMBL1289429

C=CS(=O)(=O)C(Cc1ccccc1S(=O)(=O)[O-])S(=O)(=O)C=C.[Na+]

nearest known ligand 0.36

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 7)

geneUniProtsupporting neighboursconfidence
P2RY4 known ✓ P51582 2/20 0.32
P2RY2 known ✓ P41231 1/20 0.32
PKLR P30613 2/20 0.33
FTO Q9C0B1 1/20 0.33
RAD51 Q06609 1/20 0.33
PTPN1 P18031 1/20 0.31
PGAM1 P18669 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
SCHEMBL17165112 0.75 POLB (0.41) PKLRFTORAD51P2RY4P2RY2
SCHEMBL27061 0.75 POLB (0.41) PKLRFTORAD51P2RY4P2RY2
SCHEMBL11658387 0.75 GABRA1 (0.42) PKLRFTOP2RY4P2RY2PTPN1
SCHEMBL8905648 0.72 PKLR (0.36) PKLRFTOP2RY4P2RY2PTPN1
SCHEMBL8026047 0.72 POLB (0.40) PKLRRAD51PTPN1PGAM1
SCHEMBL28530830 0.72 MMP2 (0.40) PKLRFTORAD51P2RY4P2RY2
Potassium Ion SCHEMBL23749101 0.71 GABRA1 (0.42) PKLRP2RY4P2RY2
SCHEMBL9318297 0.71 POLB (0.41)
Zinc Ion SCHEMBL3800912 0.71 POLB (0.41)
SCHEMBL18139925 0.71 POLB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005017619-A1 IMAGING MATERIAL WITH IMPROVED MECHANICAL PROPERTIES EASTMAN KODAK COMPANY (US) 2005-02-24 WO claimed
EP-0736801-A2 Molecular grafting to energetically treated polyesters to promote adhesion of gelatin-containing layers EASTMAN KODAK COMPANY (US) 1996-10-09 EP claimed
EP-2741921-A1 TRANSPARENT INK-JET RECORDING FILMS Carestream Health, Inc. (US) 2014-06-18 EP disclosed
EP-2648921-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS Carestream Health, Inc. (US) 2013-10-16 EP disclosed
EP-2635442-A1 TRANSPARENT INK-JET RECORDING FILMS Carestream Health, Inc. (US) 2013-09-11 EP disclosed
EP-2632736-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS Carestream Health, Inc. (US) 2013-09-04 EP disclosed
EP-2629981-A1 TRANSPARENT INK- JET RECORDING FILMS Carestream Health, Inc. (US) 2013-08-28 EP disclosed
EP-2625042-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS Carestream Health, Inc. (US) 2013-08-14 EP disclosed
WO-2013025383-A1 TRANSPARENT INK-JET RECORDING FILMS CARESTREAM HEALTH, INC. (US) 2013-02-21 WO disclosed
WO-2012166403-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-12-06 WO disclosed
WO-2012078483-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-06-14 WO disclosed
WO-2012065011-A1 TRANSPARENT INK-JET RECORDING FILMS COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-05-18 WO disclosed
WO-2012061181-A1 TRANSPARENT INK-JET RECORDING FILMS CARESTREAM HELATH, INC. (US) 2012-05-10 WO disclosed
WO-2012058347-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-05-03 WO disclosed
WO-2012058354-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-05-03 WO disclosed
WO-2012054371-A1 TRANSPARENT INK- JET RECORDING FILMS CARESTREAM HEALTH, INC. (US) 2012-04-26 WO disclosed
WO-2012047943-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-04-12 WO disclosed
WO-2012047822-A1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH, INC. (US) 2012-04-12 WO disclosed
WO-2005017619-A1 IMAGING MATERIAL WITH IMPROVED MECHANICAL PROPERTIES EASTMAN KODAK COMPANY (US) 2005-02-24 WO disclosed