Ether

Ether

SCHEMBL8861985

CC(=O)O.CCC(=O)CC.CCOCC

nearest known ligand 0.56

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 8/20 0.42
TSHR P16473 3/20 0.42
FFAR3 O14843 2/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
SOAT1 P35610 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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 SCHEMBL347668 0.91 TDP1 (0.67) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL20338904 0.88 ALDH1A1 (0.50) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL7115101 0.88 ALDH1A1 (0.50) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL28393262 0.88 ALDH1A1 (0.50) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL115545 0.88
Ether SCHEMBL28328411 0.88 ALDH1A1 (0.50) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL5597101 0.85 ALDH1A1 (0.48) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL7763625 0.85 ALDH1A1 (0.48) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL17766472 0.85 ALDH1A1 (0.48) TDP1ALDH1A1TSHRFFAR3LMNA
Ether SCHEMBL9317524 0.85 ALDH1A1 (0.48) TDP1ALDH1A1TSHRFFAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663212-A Light-sensitive resin composition FUJI PHOTO FILM CO., LTD. (JP) 1997-09-02 US disclosed