SCHEMBL4411744

SCHEMBL4411744

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
FOLH1 Q04609 1/20 0.45
MAOB P27338 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SCN8A Q9UQD0 1/20 0.41
SLC6A3 Q01959 1/20 0.40
NLRP3 Q96P20 1/20 0.39
FFAR1 O14842 2/20 0.39
IDH1 O75874 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EPHX1 P07099 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
GSK3B P49841 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 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
SCHEMBL28046794 0.82 GLA (0.55) GLAFOLH1MAOBSLC6A2SLC6A4
SCHEMBL4413465 0.81 GLA (0.48) GLAFOLH1MAOBSLC6A2SLC6A4
SCHEMBL2660512 0.79 GLA (0.58) GLAFOLH1MAOBSLC6A2SLC6A4
SCHEMBL4496028 0.77 GLA (0.57) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL5262783 0.77 GLA (0.57) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL21316490 0.76 GLA (0.55) GLAFOLH1MAOBSLC6A2SLC6A4
SCHEMBL22395447 0.76 FOLH1 (0.50) GLAFOLH1SLC6A2SLC6A4FFAR1
SCHEMBL10606037 0.76 FOLH1 (0.50) GLAFOLH1SLC6A2SLC6A4FFAR1
SCHEMBL6666068 0.75 HRH3 (0.58) GLAFOLH1MAOBSLC6A2SLC6A4
SCHEMBL3495199 0.75 TRPA1 (0.50) SLC6A2SLC6A4SLC6A3

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