SCHEMBL29538696

SCHEMBL29538696

CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
USP30 Q70CQ3 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
DGAT1 O75907 1/20 0.36
HIF1A Q16665 2/20 0.36
P4HB P07237 1/20 0.36
F2 P00734 2/20 0.35
F11 P03951 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 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
SCHEMBL15276722 1.00 AAK1 (0.46) AAK1USP30PRMT5WDR77BACE1
SCHEMBL10226740 0.90 AAK1 (0.45) AAK1USP30PRMT5WDR77BACE1
SCHEMBL10274517 0.90 AAK1 (0.45) AAK1USP30PRMT5WDR77BACE1
SCHEMBL13579053 0.89 AAK1 (0.47) AAK1USP30PRMT5WDR77BACE1
SCHEMBL4549947 0.88 AAK1 (0.49) AAK1USP30PRMT5WDR77BACE1
SCHEMBL15276604 0.86 AAK1 (0.47) AAK1USP30PRMT5WDR77BACE1
SCHEMBL10215891 0.86 AAK1 (0.47) AAK1USP30PRMT5WDR77BACE1
SCHEMBL15401660 0.86 AAK1 (0.47) AAK1USP30PRMT5WDR77BACE1
SCHEMBL1142034 0.86 AAK1 (0.47) AAK1USP30PRMT5WDR77BACE1
SCHEMBL2755130 0.86 AAK1 (0.47) AAK1USP30PRMT5WDR77BACE1

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-4221713-A1 ALLOSTERIC AKT INHIBITORS FOR USE IN THE TREATMENT OF HEREDITARY HEMORRHAGIC TELANGIECTASIA Vaderis Therapeutics AG (CH) 2023-08-09 EP disclosed
WO-2022069552-A1 ALLOSTERIC AKT INHIBITORS FOR USE IN THE TREATMENT OF HEREDITARY HEMORRHAGIC TELANGIECTASIA VADERIS THERAPEUTICS AG (CH) 2022-04-07 WO disclosed