Ether

Ether

SCHEMBL6663308

CCCCCCCCCCc1ccccc1OS(=O)(=O)[O-].CCOCC.[Na+]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ether. 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
THRA known ✓ P10827 1/20 0.47
THRB known ✓ P10828 1/20 0.47
ALOX5 known ✓ P09917 1/20 0.40
PTGS2 known ✓ P35354 1/20 0.40
PPARG known ✓ P37231 1/20 0.40
CYSLTR1 known ✓ Q9Y271 2/20 0.38
FUT7 Q11130 1/20 0.48
PPARA Q07869 2/20 0.42
LIPG Q9Y5X9 1/20 0.41
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
MGLL Q99685 1/20 0.38
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37

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
Ether SCHEMBL3979282 1.00 FUT7 (0.48) FUT7THRATHRBPPARALIPG
Ether SCHEMBL1094885 1.00 FUT7 (0.48) FUT7THRATHRBPPARALIPG
Ether SCHEMBL3235371 0.97 THRA (0.48) FUT7THRATHRBPPARALIPG
Ether SCHEMBL8746880 0.97 THRA (0.47) FUT7THRATHRBPPARALIPG
SCHEMBL2322031 0.94 FUT7 (0.52) FUT7THRATHRBPPARALIPG
SCHEMBL1457335 0.94 FUT7 (0.52) FUT7THRATHRBPPARALIPG
Potassium Ion SCHEMBL29019107 0.92 THRA (0.51) FUT7THRATHRBPPARALIPG
Ether SCHEMBL1712535 0.85 THRA (0.51) THRATHRBPPARALIPGALOX5
Ether SCHEMBL515387 0.85 THRA (0.51) THRATHRBPPARALIPGALOX5
Ether SCHEMBL2937392 0.85 THRA (0.51) THRATHRBPPARALIPGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262177-B Polyvinyl alcohol film and polarizing film 三菱化学株式会社 2023-08-22 CN disclosed
EP-1448069-A1 DETERIORATION PREVENTIVE AGENT Takasago International Corporation (JP) 2004-08-25 EP disclosed
WO-2003041517-A1 DETERIORATION PREVENTIVE AGENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-05-22 WO disclosed
US-4182621-A 6-HYDRPXY-3-(2H)-PYRIDAZINONE OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1980-01-08 US disclosed