SCHEMBL1666274

SCHEMBL1666274

CCCCCCCCCCCCCCCCC(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 7)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.37
CA2 known ✓ P00918 1/20 0.35
CES2 O00748 6/20 0.39
GPR84 Q9NQS5 1/20 0.36
CES1 P23141 4/20 0.35
FAAH O00519 3/20 0.35
EPHX1 P07099 1/20 0.34

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 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL28919474 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL7967481 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL2729135 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL11432185 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL10993074 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL339202 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL2957022 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL219970 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL9651109 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN disclosed
CN-119604270-A Comprising an antimicrobial agent accelerator composition 西姆莱斯股份公司 2025-03-11 CN disclosed
CN-119384263-A Temperature stable emulsions 拜尔斯道夫股份有限公司 2025-01-28 CN disclosed
CN-119365168-A Emulsion with liquid crystal structure 拜尔斯道夫股份有限公司 2025-01-24 CN disclosed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN disclosed
US-12024475-B2 Composition for inorganic binders BASF SE (DE) 2024-07-02 US disclosed
CN-118159632-A Perfume and perfume mixture 西姆莱斯股份公司 2024-06-07 CN disclosed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN disclosed
CN-113710331-B Antimicrobial mixture 西姆莱斯股份公司 2024-03-22 CN disclosed
CN-116997316-A Perfume mixture containing isochronic alcohol (Isocitronellol) 西姆莱斯股份公司 2023-11-03 CN disclosed
EP-3541766-A1 COMPOSITION FOR INORGANIC BINDERS BASF SE (DE) 2019-09-25 EP disclosed
EP-2485806-B1 USE OF CETEARYL SULFOSUCCINATES IN SUNSCREEN PREPARATIONS BASF SE (DE) 2019-07-31 EP disclosed
EP-2496309-B1 COSMETIC PREPARATION CONTAINING CETEARYL SULFOCSUCCINATES AND COMPRISING LIQUID UV FILTERS BASF SE (DE) 2018-10-10 EP disclosed
EP-2485805-B1 COSMETIC PREPARATION CONTAINING CETEARYL SULFOSUCCINATES AND TRISBIPHENYL TRIAZINE BASF SE (DE) 2018-03-07 EP disclosed
EP-2496309-A2 COSMETIC PREPARATION CONTAINING CETEARYL SULFOCSUCCINATES AND COMPRISING LIQUID UV FILTERS Beiersdorf AG (DE) 2012-09-12 EP disclosed
EP-2485806-A2 COSMETIC PREPARATION CONTAINING CETEARYL SULFOSUCCINATES Beiersdorf AG (DE) 2012-08-15 EP disclosed
EP-2485805-A2 COSMETIC PREPARATION CONTAINING CETEARYL SULFOSUCCINATES AND TRISBIPHENYL TRIAZINE Beiersdorf AG (DE) 2012-08-15 EP disclosed
WO-2011042088-A2 COSMETIC PREPARATION CONTAINING CETEARYL SULFOCSUCCINATES AND COMPRISING LIQUID UV FILTERS BEIERSDORF AG (DE) 2011-04-14 WO disclosed
WO-2011042087-A2 COSMETIC PREPARATION CONTAINING CETEARYL SULFOSUCCINATES BEIERSDORF AG (DE) 2011-04-14 WO disclosed
WO-2011042089-A2 COSMETIC PREPARATION CONTAINING CETEARYL SULFOSUCCINATES AND TRISBIPHENYL TRIAZINE BEIERSDORF AG (DE) 2011-04-14 WO disclosed