SCHEMBL22796372

SCHEMBL22796372

CN(B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.39
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ ASGR1 P07306 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL26024955 0.77 USP30 (0.37) USP30BACE1BACE2HDAC1HDAC2
SCHEMBL21626233 0.74 USP30 (0.37) USP30BACE1BACE2ASGR1HDAC1
SCHEMBL1316483 0.72 USP30 (0.39) USP30BACE1BACE2HDAC1HDAC2
SCHEMBL1180889 0.70 USP30 (0.50) USP30BACE1BACE2
SCHEMBL21356696 0.70 AKT1 (0.43) USP30HDAC1HDAC2
SCHEMBL22035790 0.69 USP30 (0.34) USP30BACE1BACE2
SCHEMBL22796462 0.68 USP30 (0.34) USP30HDAC6
SCHEMBL484122 0.67 AAK1 (0.45) USP30BACE1BACE2
SCHEMBL12096699 0.66 HDAC6 (0.37) ASGR1HDAC1HDAC2HDAC6
SCHEMBL8737769 0.65 HDAC6 (0.39) ASGR1HDAC1HDAC2HDAC6

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-2020249970-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2020-12-17 — — WO disclosed
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