SCHEMBL6902358

SCHEMBL6902358

CCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[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
CA2 known ✓ P00918 2/20 0.40
CA4 known ✓ P22748 1/20 0.34
CA12 known ✓ O43570 1/20 0.34
CA1 known ✓ P00915 1/20 0.34
RECQL P46063 2/20 0.40
ALDH1A1 P00352 2/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIN1 Q13526 1/20 0.33
ALOX15 P16050 1/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL7774149 0.85 RECQL (0.41) CA2RECQLCA4CA1CYP3A4
SCHEMBL27831782 0.84 CA2 (0.36) CA2RECQLCA4CYP3A4TSHR
SCHEMBL11518722 0.84 CA2 (0.36) CA2ALDH1A1CA4CA12CA1
SCHEMBL28190321 0.82 CA2 (0.41) CA2RECQLCA4CA12CA1
SCHEMBL29272017 0.82 RECQL (0.46) CA2RECQLALDH1A1CA1TSHR
SCHEMBL1498017 0.82 RECQL (0.46) CA2RECQLALDH1A1CA1TSHR
Ether SCHEMBL18893637 0.81 CA2 (0.38) CA2RECQLCA4CYP3A4TSHR
SCHEMBL2437684 0.81 CA2 (0.47) CA2RECQLALDH1A1CA4CA1
SCHEMBL9176900 0.81 CA2 (0.38) CA2RECQLCA4CYP3A4TSHR
SCHEMBL6138906 0.81 RECQL (0.44) RECQLCA1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1331001-B1 NOVEL DISPERSIBLE AND SOLUBLE GALENIC PARACETAMOL FORMULATION, METHOD FOR ITS PREPARATION AND ITS APPLICATIONS BELMAC S A LAB (ES) 2004-07-21 EP claimed
US-6620433-B2 Dispersible and soluble galenic paracetamol formulation, method for its preparation and its applications LABORATORIOS BELMAC, S.A. (ES) 2003-09-16 US claimed
EP-1331001-A1 NOVEL DISPERSIBLE AND SOLUBLE GALENIC PARACETAMOL FORMULATION, METHOD FOR ITS PREPARATION AND ITS APPLICATIONS Laboratorios Belmac, S.A. (ES) 2003-07-30 EP claimed
US-20020197312-A1 Dispersible and soluble galenic paracetamol formulation, method for its preparation and its applications LABORATORIES BELMAC, S.A. (ES) 2002-12-26 US claimed
CN-103748181-A Branched polyalkylene glycol ethers as de-airing wetting and dispersing agents for aqueous dispersion colors CLARIANT INT LTD 2014-04-23 CN disclosed
CN-102762620-A Polymers and use thereof as dispersants having a foam-inhibiting effect CLARIANT FINANCE BVI LTD 2012-10-31 CN disclosed
CN-1671475-A Copolymers of alkylene oxides and glycidyl ethers and their use as polymerizable emulsifiers CLARIANT GMBH (DE) 2005-09-21 CN disclosed
EP-1331001-B1 NOVEL DISPERSIBLE AND SOLUBLE GALENIC PARACETAMOL FORMULATION, METHOD FOR ITS PREPARATION AND ITS APPLICATIONS BELMAC S A LAB (ES) 2004-07-21 EP disclosed
US-6620433-B2 Dispersible and soluble galenic paracetamol formulation, method for its preparation and its applications LABORATORIOS BELMAC, S.A. (ES) 2003-09-16 US disclosed
EP-1331001-A1 NOVEL DISPERSIBLE AND SOLUBLE GALENIC PARACETAMOL FORMULATION, METHOD FOR ITS PREPARATION AND ITS APPLICATIONS Laboratorios Belmac, S.A. (ES) 2003-07-30 EP disclosed
US-20020197312-A1 Dispersible and soluble galenic paracetamol formulation, method for its preparation and its applications LABORATORIES BELMAC, S.A. (ES) 2002-12-26 US disclosed