Ether

Ether

SCHEMBL2359693

C=CCOC(=O)C=C.CCOCC.Nc1nc(N)nc(N)n1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 1/20 0.36
CYP3A4 P08684 2/20 0.34
RAB9A P51151 1/20 0.33
APP P05067 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2359694 0.90 MAPT (0.44) TSHRHPGDMAPTCACNA1BAPBA1
Ether SCHEMBL936882 0.87 TSHR (0.48) TSHRHPGDMAPTCACNA1BAPBA1
Ether SCHEMBL1111133 0.82 TSHR (0.48) TSHRHPGDMAPTCACNA1BAPBA1
Acrylic Acid SCHEMBL2306534 0.78 CYP1A2 (0.38) TSHRHPGDALDH1A1HSD17B10RAB9A
SCHEMBL3319338 0.77 MAPT (0.52) TSHRHPGDMAPTCACNA1BAPBA1
Propylene Glycol SCHEMBL3669314 0.76 TSHR (0.44) TSHRHPGDMAPTCACNA1BAPBA1
Ether SCHEMBL7974942 0.76 MAPT (0.56) TSHRHPGDMAPTCACNA1BAPBA1
2-Ethoxyethanol SCHEMBL11346768 0.76 TSHR (0.55) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL28212051 0.75 TSHR (0.52) TSHRHPGDMAPTCACNA1BAPBA1
Methyl Alcohol SCHEMBL28080029 0.75 TSHR (0.52) TSHRHPGDMAPTCACNA1BAPBA1

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
EP-2195357-B1 LOW VOC THERMOSETTING COMPOSITION OF POLYESTER ACRYLIC RESIN FOR GEL COAT COOK COMPOSITES & POLYMERS (US) 2011-08-10 EP disclosed