SCHEMBL30163103

SCHEMBL30163103

CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ESR2 Q92731 1/20 0.36
NR1H2 P55055 1/20 0.35
ROCK1 Q13464 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
BUB1 O43683 2/20 0.33
CHRM4 P08173 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HIF1A Q16665 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL29218282 1.00 USP30 (0.42) USP30PRMT5WDR77BACE1BACE2
SCHEMBL16635502 0.89 PIK3CA (0.43) USP30PRMT5WDR77BACE1BACE2
SCHEMBL868675 0.86 USP30 (0.43) USP30PRMT5WDR77BACE1BACE2
SCHEMBL31167558 0.86 USP30 (0.43) USP30PRMT5WDR77BACE1BACE2
SCHEMBL29513830 0.84 CHRM4 (0.45) USP30PRMT5WDR77BACE1BACE2
SCHEMBL594429 0.84 CHRM4 (0.45) USP30PRMT5WDR77BACE1BACE2
SCHEMBL22040017 0.83 PIK3CA (0.43) USP30PRMT5WDR77BACE1BACE2
SCHEMBL25151277 0.83 USP30 (0.49) USP30PRMT5WDR77BACE1GPR119
SCHEMBL30935036 0.81 GPR119 (0.33) USP30PRMT5WDR77BACE1BACE2
SCHEMBL16375063 0.81 ROCK1 (0.38) USP30PRMT5WDR77BACE1BACE2

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-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 EP disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed