SCHEMBL4413465

SCHEMBL4413465

CC(C)OC(Cc1cccc(C#N)c1)ON

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
FOLH1 Q04609 1/20 0.41
DPP7 Q9UHL4 3/20 0.40
DPP4 P27487 2/20 0.40
SCN8A Q9UQD0 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
AKT1 P31749 1/20 0.40
MAOB P27338 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL4411744 0.81 GLA (0.49) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL4496028 0.79 GLA (0.57) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL5262783 0.79 GLA (0.57) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL2660512 0.77 GLA (0.58) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL4410263 0.77 GLA (0.40) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL4420077 0.75 AKT1 (0.40) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL21316490 0.74 GLA (0.55) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL28046794 0.74 GLA (0.55) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL20170038 0.73 GLA (0.54) GLASLC6A2SLC6A4FOLH1DPP7
SCHEMBL800275 0.73 GLA (0.54) GLASLC6A2SLC6A4SCN8AMAOB

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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed