SCHEMBL9658293

SCHEMBL9658293

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

nearest known ligand 0.39

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.39
CA4 known ✓ P22748 1/20 0.35
CA2 known ✓ P00918 2/20 0.32
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NFKB1 P19838 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
CES2 O00748 2/20 0.30
CES1 P23141 1/20 0.30
FAAH O00519 2/20 0.30

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
SCHEMBL1552115 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL7967481 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL11432185 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL339202 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL10993074 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL2729135 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL2957022 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL1666274 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL219970 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1
SCHEMBL28919474 0.93 CES2 (0.39) CA1CA2GPR84CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9307757-B2 Monoalkyl sulfosuccinates in pesticide formulations and applications AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-04-12 US claimed
CN-113373687-B Treating agent for artificial silk ear and artificial silk ear using the same 三吉油脂株式会社 2025-02-18 CN disclosed
US-5114991-A Shell-core copolymer with inorganic polymers, polyethylene particles, glass fibers, antioxidants, biocides and kraft wood pulp GENCORP INC. (US) 1992-05-19 US disclosed
EP-0444343-A1 Paper felts or mats and binders therefor GENCORP INC. (US) 1991-09-04 EP disclosed
US-5002982-A Shell-core copolymerization of vinyl aromatic, dicarboxylic acid, conjugated diene, glycidyl (meth)acrylate and monocarboxylic acid monomers GENCORP INC. (US) 1991-03-26 US disclosed