Ether

Ether

SCHEMBL7202406

CCOCC.CCOCC.Nc1cc(Br)cc(-c2cc(N)cc(Br)c2)c1.Nc1cccc(-c2cc(N)cc(Br)c2)c1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
CYP3A4 P08684 4/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAP4K4 O95819 4/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
MEN1 O00255 2/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CA12 O43570 1/20 0.36

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 SCHEMBL20518532 0.86 MAOA (0.58) MAOACYP3A4TP53SMN1; SMN2MAP4K4
SCHEMBL10713914 0.80 MAOA (0.60) MAOACYP3A4MAP4K4MEN1PSIP1
Benzidine SCHEMBL7163808 0.80 MAOA (0.55) MAOACYP3A4TP53SMN1; SMN2MAP4K4
Ether SCHEMBL7219756 0.80 MAOA (0.55) MAOACYP3A4TP53SMN1; SMN2MAP4K4
Hydrochloric Acid SCHEMBL10818325 0.79 MAOA (0.58) MAOACYP3A4MAP4K4MEN1PSIP1
Orthotolidine SCHEMBL9650002 0.77 CYP3A4 (0.55) MAOACYP3A4TP53SMN1; SMN2MAP4K4
Ether SCHEMBL1054057 0.77 MEN1 (0.48) MAOACYP3A4TP53SMN1; SMN2MAP4K4
SCHEMBL9292677 0.74 MAOA (0.62) MAOACYP3A4TP53SMN1; SMN2MAP4K4
Ether SCHEMBL10830899 0.74 IDO1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3786792 0.73 CYP3A4 (0.68) MAOACYP3A4TP53MAP4K4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed