SCHEMBL6138906

SCHEMBL6138906

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

nearest known ligand 0.45

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 1/20 0.37
RECQL P46063 3/20 0.44
NAAA Q02083 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL138400 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL8376551 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL401362 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL2729136 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
Octane SCHEMBL7762184 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL208567 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL6139132 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL1171007 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL4941649 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA
SCHEMBL31196791 0.98 RECQL (0.43) RECQLNAAATSHRMAPK1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790450-A Sulfosuccinate surfactant composition and the method for using it 塞特工业公司 2019-05-21 CN disclosed
CN-104039140-B Pyrethroid preparation 维弗作物保护公司 2017-07-21 CN disclosed
EP-1198536-B1 WATER-IN-OIL MICROEMULSIONS USEFUL FOR OIL FIELD OR GAS FIELD APPLICATIONS AND METHODS FOR USING THE SAME BP EXPLORATION OPERATING (GB) 2005-12-28 EP disclosed
US-6581687-B2 Water-in-oil microemulsions useful for oil field or gas field applications and methods for using the same BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2003-06-24 US disclosed
US-20020125010-A1 Water-in-oil microemulsions useful for oil field or gas field applications and methods for using the same BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2002-09-12 US disclosed
EP-1198536-A1 WATER-IN-OIL MICROEMULSIONS USEFUL FOR OIL FIELD OR GAS FIELD APPLICATIONS AND METHODS FOR USING THE SAME BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2002-04-24 EP disclosed
WO-2001000747-A1 WATER-IN-OIL MICROEMULSIONS USEFUL FOR OIL FIELD OR GAS FIELD APPLICATIONS AND METHODS FOR USING THE SAME BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2001-01-04 WO disclosed