SCHEMBL30935054

SCHEMBL30935054

CC(C)(C)OC(=O)N1CC2(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ BACE1 P56817 3/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ ESR2 Q92731 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL30935277 0.91 USP30 (0.40) USP30PRMT5WDR77BACE1BACE2
SCHEMBL30935187 0.81 RORC (0.41) USP30BACE1GPR119NR1H2DDB1
SCHEMBL12078031 0.79 BACE1 (0.38) PRMT5WDR77BACE1ROCK1
SCHEMBL30400992 0.78 USP30 (0.44) USP30PRMT5WDR77BACE1BACE2
SCHEMBL26176373 0.78 USP30 (0.44) USP30PRMT5WDR77BACE1BACE2
SCHEMBL30935109 0.77 BACE1 (0.35) PRMT5WDR77BACE1ROCK1
SCHEMBL30935204 0.77 BACE1 (0.37) PRMT5WDR77BACE1
SCHEMBL30935124 0.75 BACE1 (0.36) PRMT5WDR77BACE1BACE2ROCK1
SCHEMBL12280372 0.74 USP30 (0.43) USP30PRMT5WDR77BACE1BACE2
SCHEMBL12078315 0.74 CDC7 (0.39) PRMT5WDR77BACE1ROCK1

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-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 — — WO disclosed
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