SCHEMBL9243155

SCHEMBL9243155

CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.53

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
CA1 known ✓ P00915 3/20 0.43
CA2 known ✓ P00918 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.53
MMP9 P14780 3/20 0.46
MMP13 P45452 3/20 0.46
ADAM17 P78536 2/20 0.46
MMP1 P03956 2/20 0.46
ABCB1 P08183 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
BIRC2 Q13490 1/20 0.40
GPR84 Q9NQS5 4/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL29444287 1.00 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
SCHEMBL31402380 1.00 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
SCHEMBL17179904 1.00 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
SCHEMBL8683340 1.00 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
SCHEMBL2761417 1.00 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
Potassium Ion SCHEMBL29444286 0.97 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
Potassium Ion SCHEMBL29444285 0.97 ZDHHC7 (0.53) ZDHHC7MMP9MMP13ADAM17MMP1
SCHEMBL31402375 0.91 EPHX2 (0.48) ZDHHC7EPHX2FAAH
SCHEMBL8626292 0.83 ZDHHC7 (0.56) ZDHHC7MMP9MMP13ADAM17MMP1
SCHEMBL2760851 0.83 ZDHHC7 (0.56) ZDHHC7MMP9MMP13ADAM17MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7278579-A None JP disclosed
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
EP-3907272-A1 COMPOSITION COMPRISING PEPTIDASE AND BIOSURFACTANT Evonik Operations GmbH (DE) 2021-11-10 EP disclosed
EP-3271448-B1 COMPOSITION COMPRISING PEPTIDASE AND BIOSURFACTANT EVONIK OPERATIONS GMBH (DE) 2021-09-08 EP disclosed
US-10723934-B2 Surfactants for use in liquid suspensions of lightweight beads HALLIBURTON ENERGY SERVICES, INC. (US) 2020-07-28 US disclosed
US-20180355236-A1 SURFACTANTS FOR USE IN LIQUID SUSPENSIONS OF LIGHTWEIGHT BEADS HALLIBURTON ENERGY SERVICES, INC. (US) 2018-12-13 US disclosed
US-20180133133-A1 STRUCTURED CRYSTALLINE SURFACTANT COMPOSITIONS EVONIK OPERATIONS GMBH (DE) 2018-05-17 US disclosed
EP-3271448-A1 COMPOSITION CONTAINING PEPTIDASE AND BIOSURFACTANT Evonik Degussa GmbH (DE) 2018-01-24 EP disclosed
EP-2932959-B1 SURFACTANT COMPOSITIONS AND HIGHLY OLEAGINOUS FORMULATIONS CONTAINING SAME EVONIK DEGUSSA GMBH (DE) 2017-09-13 EP disclosed
WO-2017138919-A1 SURFACTANTS FOR USE IN LIQUID SUSPENSIONS OF LIGHTWEIGHT BEADS HALLIBURTON ENERGY SERVICES, INC. (US) 2017-08-17 WO disclosed
EP-2932960-B1 SURFACTANT COMPOSITIONS AND HIGHLY OLEAGINOUS FORMULATIONS CONTAINING THESE EVONIK DEGUSSA GMBH (DE) 2017-06-28 EP disclosed
WO-2016146497-A1 COMPOSITION CONTAINING PEPTIDASE AND BIOSURFACTANT EVONIK DEGUSSA GMBH (DE) 2016-09-22 WO disclosed
EP-3070155-A1 COMPOSITION COMPRISING PEPTIDASE AND BIOSURFACTANT Evonik Degussa GmbH (DE) 2016-09-21 EP disclosed
US-9320697-B2 Surfactant compositions and formulations with a high oil content EVONIK DEGUSSA GMBH (DE) 2016-04-26 US disclosed
US-20150297485-A1 SURFACTANT COMPOSITIONS AND FORMULATIONS WITH A HIGH OIL CONTENT EVONIK INDUSTRIES AG (DE) 2015-10-22 US disclosed
US-20150297489-A1 SURFACTANT COMPOSITIONS AND FORMULATIONS WITH A HIGH OIL CONTENT EVONIK INDUSTRIES AG (DE) 2015-10-22 US disclosed
EP-2932959-A1 SURFACTANT COMPOSITIONS AND HIGHLY OLEAGINOUS FORMULATIONS CONTAINING SAME Evonik Degussa GmbH (DE) 2015-10-21 EP disclosed
EP-2932960-A1 SURFACTANT COMPOSITIONS AND HIGHLY OLEAGINOUS FORMULATIONS CONTAINING THESE Evonik Degussa GmbH (DE) 2015-10-21 EP disclosed
JP-H07278579-A ADDITIVE TO FUEL MIXED WITH HIGH-FLASHPOINT ASPHALT AND WATER AND FUEL MIXED WITH HIGH-FLASHPOINT ASPHALT AND WATER CONTAINING THE SAME LION CORP 1995-10-24 JP disclosed