SCHEMBL2592445

SCHEMBL2592445

CC(C)N(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.57
AAK1 Q2M2I8 2/20 0.47
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
P4HB P07237 1/20 0.39
F2 P00734 3/20 0.38
F11 P03951 3/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL12185974 0.84 BACE1 (0.49) USP30AAK1BACE1BACE2CA1
SCHEMBL484122 0.83 AAK1 (0.45) USP30AAK1BACE1BACE2CA1
SCHEMBL18204544 0.82 BACE1 (0.45) USP30AAK1BACE1BACE2CA1
SCHEMBL1019640 0.81 BACE1 (0.45) USP30AAK1BACE1BACE2CA1
SCHEMBL25142321 0.80 AAK1 (0.47) USP30AAK1BACE1BACE2CA1
SCHEMBL2565930 0.80 AAK1 (0.47) USP30AAK1BACE1BACE2CA1
SCHEMBL29840307 0.80 AAK1 (0.47) USP30AAK1BACE1BACE2CA1
SCHEMBL2565928 0.80 AAK1 (0.47) USP30AAK1BACE1BACE2CA1
SCHEMBL2595119 0.80 AAK1 (0.45) USP30AAK1BACE1BACE2CA1
SCHEMBL23753406 0.80 LIPG (0.47) USP30AAK1BACE1BACE2CA1

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
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed