SCHEMBL17886239

SCHEMBL17886239

CCOCOC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.33

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
SCHEMBL18486419 0.85 GAA (0.38) GAA
SCHEMBL1232046 0.83 GAA (0.37) CYP2D6SLC6A2SLC6A4SLC6A3GAA
SCHEMBL10135299 0.81 GAA (0.36) GAA
SCHEMBL25477537 0.79 GAA (0.31) GAA
SCHEMBL15144003 0.79 GAA (0.35) GAA
Ether SCHEMBL8479704 0.78 CYP2D6 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3GAA
Alcohol SCHEMBL28011615 0.78 GAA (0.38) CYP2D6SLC6A2SLC6A4SLC6A3GAA
SCHEMBL133542 0.76 GAA (0.38) GAA
Ether SCHEMBL8473922 0.75 GBA1 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7071384 0.75 GAA (0.35) GAA

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-20160185988-A1 ULTRAVIOLET RAY CURABLE INK COMPOSITION FOR USE IN INK JET METHOD AND RECORDED OBJECT SEIKO EPSON CORPORATION (JP) 2016-06-30 US disclosed