SCHEMBL4884967

SCHEMBL4884967

CC(C)(C)OC(=O)N(C(=N)Nc1cccc(I)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
BACE1 P56817 3/20 0.36
GRIK1 P39086 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL15140039 0.83 HIF1A (0.48) CA12CA2CA9
SCHEMBL711197 0.79 HDAC3 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29991818 0.79 HDAC3 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15140071 0.77 F2 (0.39) BACE1NPSR1HDAC3HDAC1HDAC2
SCHEMBL23235852 0.76 MAPT (0.43) CA12CA1CA2CA9TP53
SCHEMBL254369 0.76 SIGMAR1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7619851 0.74 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24137505 0.73 KMT2A (0.42) BACE1TP53TSHR
SCHEMBL5788226 0.72 NPC1 (0.44) TP53
SCHEMBL30894720 0.71 TP53BP1 (0.35) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed