SCHEMBL4252706

SCHEMBL4252706

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

nearest known ligand 0.35

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
CA4 known ✓ P22748 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
Tetramethylammonium Ion SCHEMBL9641524 0.92 BBOX1 (0.31)
SCHEMBL7766438 0.83 FFAR3 (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
Potassium Ion SCHEMBL1025777 0.81 FABP3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9515721 0.80 CA2 (0.38)
Lithium Ion SCHEMBL15646944 0.79 FABP3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11970131 0.77 GRIK1 (0.35)
SCHEMBL165515 0.77 GRIK1 (0.35)
SCHEMBL28484871 0.67
SCHEMBL4887185 0.67
SCHEMBL6366970 0.67

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
JP-3242300-A None JP disclosed
US-8617711-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2013-12-31 US disclosed
US-20090191373-A1 Single Layer Film and Hydrophilic Material Comprising the Same MITSUI CHEMICALS ,INC. 2009-07-30 US disclosed
EP-1955782-A1 SINGLE LAYER FILM AND HYDROPHILIC MATERIAL COMPOSED OF SAME Mitsui Chemicals, Inc. (JP) 2008-08-13 EP disclosed
EP-0950539-B1 Thermal dye transfer receiving element EASTMAN KODAK CO (US) 2001-06-13 EP disclosed
US-5981431-A A DYE IMAGE RECEIVING LAYER COMPRISING A WATER DISPERSABLE POLYESTER CONTAING A DIOL, A DIESTER AND A METALSULFONATE SALT CONTAINING DIACID EASTMAN KODAK COMPANY (US) 1999-11-09 US disclosed
EP-0950539-A1 Thermal dye transfer receiving element EASTMAN KODAK COMPANY (US) 1999-10-20 EP disclosed
EP-0381457-B1 Method of treating polyester fibers, polyester fibers treated by said method, and composite composed of said polyester fibers and nitrile group-containing highly saturated copolymer rubber NIPPON ZEON CO (JP) 1994-06-15 EP disclosed
US-5286783-A Adhesive for bonding fibers to rubber NIPPON ZEON CO., LTD. (JP) 1994-02-15 US disclosed
US-5122397-A Bonding embedded fibers to nitrile rubber by vulcanization; hoses, ribbed belts NIPPON ZEON CO., LTD. (JP) 1992-06-16 US disclosed
JP-H03242300-A RECLAMATION METHOD BY DREDGING MITSUBISHI KASEI CORP 1991-10-29 JP disclosed
EP-0381457-A2 Method of treating polyester fibers, polyester fibers treated by said method, and composite composed of said polyester fibers and nitrile group-containing highly saturated copolymer rubber NIPPON ZEON CO., LTD. (JP) 1990-08-08 EP disclosed