SCHEMBL486057

SCHEMBL486057

CCCCCCC(CCCCCC)(CC(=O)[O-])C(=O)OS(=O)(=O)O.[Na+]

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.35
CES2 O00748 2/20 0.37
RECQL P46063 2/20 0.34
SMPD1 P17405 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
BLM P54132 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 2/20 0.33

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
SCHEMBL1984429 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL788087 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL6848142 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL10430528 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL2350328 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
Lithium Ion SCHEMBL6258171 0.97 CES2 (0.37) CES2SMPD1MEN1MAPTKMT2A
Lithium Ion SCHEMBL6258184 0.97 CES2 (0.37) CES2SMPD1MEN1MAPTKMT2A
SCHEMBL6261811 0.89 FFAR3 (0.32) CA1
SCHEMBL289231 0.84 TDP1 (0.39) TSHRGPR84MEN1KMT2A
SCHEMBL12474251 0.84 TDP1 (0.39) TSHRGPR84MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411567-A1 CHROMIUM ALLOY COATING WITH ENHANCED RESISTANCE TO CORROSION IN CALCIUM CHLORIDE ENVIRONMENTS MacDermid Acumen, Inc. (US) 2012-02-01 EP claimed
WO-2010110812-A1 CHROMIUM ALLOY COATING WITH ENHANCED RESISTANCE TO CORROSION IN CALCIUM CHLORIDE ENVIRONMENTS MACDERMID, INCORPORATED (US) 2010-09-30 WO claimed
JP-55073590-A None JP disclosed
EP-3512806-A1 METHOD FOR PREPARING EXPANDED HEXAGONAL BORON NITRIDE BY TEMPLATING Rogers Corporation (US) 2019-07-24 EP disclosed
WO-2019076794-A1 SURFACTANT COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2019-04-25 WO disclosed
WO-2018052934-A1 METHOD FOR PREPARING EXPANDED HEXAGONAL BORON NITRIDE BY TEMPLATING ROGERS CORPORATION (US) 2018-03-22 WO disclosed
EP-2880120-A1 ENHANCED OIL RECOVERY METHODS USING A FLUID CONTAINING A SACRIFICIAL AGENT Shell Internationale Research Maatschappij B.V. (NL) 2015-06-10 EP disclosed
WO-2014022616-A1 ENHANCED OIL RECOVERY METHODS USING A FLUID CONTAINING A SACRIFICIAL AGENT SHELL OIL COMPANY (US) 2014-02-06 WO disclosed
EP-1473331-B1 ANTIFOULING WATER-BASED COATING COMPOSITION ASAHI KASEI CHEMICALS CORP (JP) 2013-10-30 EP disclosed
WO-2013044024-A1 HOLLOW PARTICLE CRYSTALLINE COLLOIDAL ARRAYS PPG INDUSTRIES OHIO, INC. (US) 2013-03-28 WO disclosed
EP-2498755-A1 DYNAMIC THERMORESPONSIVE NANOPARTICLES FOR STABILIZATION OF ENZYMES AT HIGH TEMPERATURES ICX-Agentase (US) 2012-09-19 EP disclosed
US-6444781-B1 USING CARBOXYLATED SULFONATE COMPOUND EASTMAN CHEMICAL COMPANY 2002-09-03 US disclosed
US-20020091228-A1 Polyester resin intermediate compositions and preparation and uses thereof EASTMAN CHEMICAL COMPANY 2002-07-11 US disclosed
EP-1194469-A1 POLYESTER RESIN INTERMEDIATE COMPOSITIONS AND PREPARATION AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2002-04-10 EP disclosed
EP-0820477-B1 WATERBORNE POLYMERS WITH PENDANT CROSSLINKABLE GROUPS EASTMAN CHEM CO (US) 2002-01-23 EP disclosed
WO-2001000703-A1 POLYESTER RESIN INTERMEDIATE COMPOSITIONS AND PREPARATION AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2001-01-04 WO disclosed
US-5359125-A Using 2,2'-bisacetoacetate as crosslinking agent EASTMAN CHEMICAL COMPANY (US) 1994-10-25 US disclosed
EP-0369379-A2 Image forming method KONICA CORPORATION (JP) 1990-05-23 EP disclosed
EP-0301759-A2 Bone cement for controlled release of substances Pfizer Hospital Products Group, Inc. (US) 1989-02-01 EP disclosed
JP-S5573590-A PROTECTIVE AGENT FOR PLANOGRAPHIC PRINTING PLATE FUJI PHOTO FILM CO LTD 1980-06-03 JP disclosed