Ether

Ether

SCHEMBL7120700

CCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])[O-].CCOCC.[Na+].[Na+]

nearest known ligand 0.58

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 13)

geneUniProtsupporting neighboursconfidence
ADORA3 known ✓ P0DMS8 1/20 0.44
LPAR3 Q9UBY5 9/20 0.58
LPAR2 Q9HBW0 7/20 0.57
LPAR1 Q92633 5/20 0.57
P2RY10 O00398 1/20 0.45
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
CDC25A P30304 1/20 0.44
AGTR1 P30556 1/20 0.44
AKT1 P31749 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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 SCHEMBL7124253 0.98 LPAR3 (0.57) LPAR3LPAR2LPAR1P2RY10LMNA
SCHEMBL338924 0.93 LPAR3 (0.64) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL338926 0.93 LPAR3 (0.64) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11212645 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11757313 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1LMNAESR1
Zinc Ion SCHEMBL27625458 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1P2RY10LMNA
Potassium Ion SCHEMBL2046315 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11757302 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11212647 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1LMNAESR1
Potassium Ion SCHEMBL2046322 0.92 LPAR3 (0.62) LPAR3LPAR2LPAR1LMNAESR1

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
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP claimed
US-5858266-A CONTAINING A HYDROFLUOROCARBON, A PHOSPHOROUS COMPOUND AND AN OXYGEN-CONTAINING ORGANIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US claimed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP claimed
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP disclosed
US-5997761-A Refrigerating machine oil composition IDEMITSU KOSAN CO., LTD. (JP) 1999-12-07 US disclosed
US-5858266-A CONTAINING A HYDROFLUOROCARBON, A PHOSPHOROUS COMPOUND AND AN OXYGEN-CONTAINING ORGANIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US disclosed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP disclosed