SCHEMBL2234780

SCHEMBL2234780

CCCCCCCCc1ccccc1OC(C)OC(C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 15)

geneUniProtsupporting neighboursconfidence
THRA known ✓ P10827 1/20 0.43
THRB known ✓ P10828 1/20 0.43
PPARG known ✓ P37231 1/20 0.40
ALOX5 known ✓ P09917 1/20 0.37
PTGS2 known ✓ P35354 1/20 0.37
CYSLTR1 known ✓ Q9Y271 2/20 0.35
PPARA Q07869 2/20 0.40
LIPG Q9Y5X9 1/20 0.38
FUT7 Q11130 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL7739699 0.98 THRA (0.42) THRATHRBPPARAPPARGLIPG
SCHEMBL8419665 0.86 THRA (0.47) THRATHRBPPARAPPARGLIPG
SCHEMBL7739702 0.85 LTB4R (0.40) THRATHRBPPARAPPARGADRB2
SCHEMBL10698028 0.84 THRA (0.45) THRATHRBPPARAPPARGLIPG
SCHEMBL10823275 0.83 THRA (0.43) THRATHRBPPARAPPARGLIPG
SCHEMBL7650228 0.82 THRA (0.49) THRATHRBPPARAPPARGLIPG
SCHEMBL330345 0.82 THRA (0.49) THRATHRBPPARAPPARGLIPG
SCHEMBL8445975 0.82 THRA (0.49) THRATHRBPPARAPPARGLIPG
SCHEMBL8708162 0.80 THRA (0.45) THRATHRBPPARAPPARGLIPG
SCHEMBL5617338 0.78 FUT7 (0.46) THRATHRBPPARAPTGS2FUT7

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-4223286-A2 SPRAY DRIED COMPOSITIONS HAVING DIFFERENT DISSOLUTION PROFILES AND PROCESSES FOR THEIR PREPARATION SpecGx LLC (US) 2023-08-09 EP disclosed
EP-3154528-B1 SPRAY DRIED COMPOSITIONS HAVING DIFFERENT DISSOLUTION PROFILES AND PROCESSES FOR THEIR PREPARATION SpecGx LLC (US) 2023-04-05 EP disclosed
US-11464741-B2 Spray dried compositions having different dissolution profiles and processes for their preparation SpecGx LLC (US) 2022-10-11 US disclosed
EP-3702361-B1 MICRO RNA ISOLATION FROM BIOLOGICAL FLUID SIGMA ALDRICH CO LLC (US) 2022-08-31 EP disclosed
EP-3702361-A1 MICRO RNA ISOLATION FROM BIOLOGICAL FLUID Sigma Aldrich Co. LLC (US) 2020-09-02 EP disclosed
US-10711266-B2 Micro RNA isolation from a biological sample SIGMA-ALDRICH CO. LLC (US) 2020-07-14 US disclosed
US-20190144850-A1 MICRO RNA ISOLATION FROM BIOLOGICAL FLUID SIGMA-ALDRICH CO. LLC (US) 2019-05-16 US disclosed
US-10131902-B2 Micro RNA isolation from biological fluid SIGMA-ALDRICH CO. LLC (US) 2018-11-20 US disclosed
US-20160376582-A1 MICRO RNA ISOLATION FROM BIOLOGICAL FLUID SIGMA-ALDRICH CO. LLC (US) 2016-12-29 US disclosed
EP-3074413-A1 MICRO RNA ISOLATION FROM BIOLOGICAL FLUID Sigma-Aldrich Co. LLC (US) 2016-10-05 EP disclosed
US-7972828-B2 a mixture of polymerases and anionic or zwitterionic surfactants, used for protecting DNA during genetic replication SIGMA-ALDRICH CO. (US) 2011-07-05 US disclosed
WO-2010083844-A1 METHODS AND USES FOR RNA EXTRACT AND STORAGE QUANTIBACT A/S (DK) 2010-07-29 WO disclosed
EP-2115131-A2 STABILIZED COMPOSITIONS OF THERMOSTABLE DNA POLYMERASE AND ANIONIC OR ZWITTERIONIC DETERGENT Sigma-Aldrich Co. (US) 2009-11-11 EP disclosed
WO-2008077017-A2 STABILIZED COMPOSITIONS OF THERMOSTABLE DNA POLYMERASE AND ANIONIC OR ZWITTERIONIC DETERGENT SIGMA-ALDRICH CO. (US) 2008-06-26 WO disclosed
US-20080145910-A1 STABILIZED COMPOSITIONS OF THERMOSTABLE DNA POLYMERASE AND ANIONIC OR ZWITTERIONIC DETERGENT SIGMA ALDRICH COMPANY (US) 2008-06-19 US disclosed
US-6468730-B2 DI- OR TRIHALO-SUBSTITUTED CARBOXY OR SULFONIC ACID STORAGE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 2002-10-22 US disclosed
US-20020015926-A1 IMAGE RECORDING MATERIAL FUJIFILM CORPORATION (JP) 2002-02-07 US disclosed
US-5472455-A Water soluble complexes for removing oily stains from fabrics COLGATE PALMOLIVE CO. (US) 1995-12-05 US disclosed
US-5441541-A Removing oily soil from fabrics COLGATE POLMOLIVE CO. (US) 1995-08-15 US disclosed
US-4128485-A AMIDO OR ESTER QUATERNARY AMMONIUM SALTS COLGATE-PALMOLIVE COMPANY (US) 1978-12-05 US disclosed