SCHEMBL26024955

SCHEMBL26024955

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30
▸ AAK1 Q2M2I8 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
SCHEMBL21356696 0.78 AKT1 (0.43) USP30HDAC1HDAC2
SCHEMBL22796372 0.77 USP30 (0.39) USP30HDAC6HDAC1HDAC2BACE1
SCHEMBL24722595 0.72 DDB1 (0.33) USP30
SCHEMBL1316483 0.71 USP30 (0.39) USP30HDAC1HDAC2BACE1BACE2
SCHEMBL21626233 0.70 USP30 (0.37) USP30HDAC6HDAC1HDAC2BACE1
SCHEMBL16665221 0.69 USP30 (0.33) USP30HDAC6
SCHEMBL18761829 0.68 USP30 (0.32) USP30
SCHEMBL2595119 0.67 AAK1 (0.45) USP30BACE1BACE2AAK1
SCHEMBL22035790 0.66 USP30 (0.34) USP30BACE1BACE2AAK1
SCHEMBL1962792 0.65 MEN1 (0.45) HDAC6HDAC1HDAC2

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 — — WO disclosed
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