SCHEMBL2437684

SCHEMBL2437684

CC(C)COC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

nearest known ligand 0.47

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 6)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.47
CA1 known ✓ P00915 2/20 0.35
CA4 known ✓ P22748 1/20 0.32
RECQL P46063 1/20 0.41
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL29043300 0.84 RECQL (0.39) CA2RECQLCA4
Sulfuric Acid SCHEMBL28988908 0.83 RECQL (0.52) CA2RECQLTSHRALDH1A1
SCHEMBL8507473 0.81 RECQL (0.43) RECQLTSHRALDH1A1
SCHEMBL790709 0.81 RECQL (0.58) RECQLTSHRALDH1A1
SCHEMBL6902358 0.81 CA2 (0.40) CA2RECQLTSHRCA1ALDH1A1
SCHEMBL28910564 0.81 RECQL (0.47) RECQLTSHRALDH1A1
SCHEMBL9777495 0.80 CA2 (0.41) CA2RECQLCA1
SCHEMBL472038 0.80 RECQL (0.56) RECQLTSHRALDH1A1
SCHEMBL22528173 0.80 RECQL (0.56) RECQLTSHRALDH1A1
SCHEMBL30579947 0.80 RECQL (0.56) RECQLTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905878-B1 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER CHEMICAL CORP (US) 2011-09-14 EP claimed
US-7485590-B2 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER CHEMICAL CORPORATION 2009-02-03 US claimed
US-20080081530-A1 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER POLYMERS, L.P. 2008-04-03 US claimed
EP-1905878-A2 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs AIR PRODUCTS POLYMERS, L.P. (US) 2008-04-02 EP claimed
EP-1905878-B1 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER CHEMICAL CORP (US) 2011-09-14 EP disclosed
US-20090118147-A1 LOW VOLATILE ORGANIC CONTENT LUBRICANT TEXAS RESEARCH INTERNATIONAL, INC. 2009-05-07 US disclosed
US-7524797-B1 Low volatile organic content lubricant TEXAS RESEARCH INTERNATIONAL, INC. (US) 2009-04-28 US disclosed
US-7485590-B2 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER CHEMICAL CORPORATION 2009-02-03 US disclosed
US-20080081530-A1 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER POLYMERS, L.P. 2008-04-03 US disclosed
EP-1905878-A2 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs AIR PRODUCTS POLYMERS, L.P. (US) 2008-04-02 EP disclosed
EP-0431112-B1 HIGH STRENGTH STRUCTURAL PERLITE CONCRETE ADVANCED CONCRETE TECH (US) 1994-08-17 EP disclosed
US-5114617-A Cement, pozzolan, fine and coarse aggregates; bonding strength ADVANCED CONCRETE TECHNOLOGY, INC. (US) 1992-05-19 US disclosed
EP-0431112-A4 HIGH STRENGTH STRUCTURAL PERLITE CONCRETE 1991-11-27 EP disclosed
EP-0431112-A1 HIGH STRENGTH STRUCTURAL PERLITE CONCRETE. ADVANCED CONCRETE TECH (US) 1991-06-12 EP disclosed
WO-1990014319-A1 HIGH STRENGTH STRUCTURAL PERLITE CONCRETE ADVANCED CONCRETE TECHNOLOGY, INC. (US) 1990-11-29 WO disclosed