SCHEMBL29950477

SCHEMBL29950477

CC1CN(C(=O)OC(C)(C)C)Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
ABHD6 Q9BV23 1/20 0.42
ROCK1 Q13464 1/20 0.41
ESR2 Q92731 1/20 0.38
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
NR1H2 P55055 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NAMPT P43490 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
MAPK1 P28482 1/20 0.35
RORC P51449 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12280477 1.00 USP30 (0.47) USP30ABHD6ROCK1ESR2DDB1
SCHEMBL2589826 0.83 ROCK1 (0.48) USP30ABHD6ROCK1ESR2DDB1
SCHEMBL18056973 0.83 USP30 (0.42) USP30ROCK1ESR2DDB1CRBN
SCHEMBL15779506 0.82 USP30 (0.47) USP30ABHD6ROCK1ESR2DDB1
SCHEMBL2970830 0.82 USP30 (0.44) USP30ROCK1ESR2DDB1CRBN
SCHEMBL12279252 0.81 USP30 (0.41) USP30ROCK1ESR2DDB1CRBN
SCHEMBL20425868 0.80 ROCK1 (0.46) ABHD6ROCK1ESR2NAMPTKDM4E
SCHEMBL2515678 0.80 NR1H2 (0.61) USP30ABHD6ROCK1ESR2DDB1
SCHEMBL29964782 0.80 NR1H2 (0.61) USP30ABHD6ROCK1ESR2DDB1
SCHEMBL29676899 0.80 ESR2 (0.62) USP30ABHD6ROCK1ESR2DDB1

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-4337207-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2024-03-20 EP disclosed
WO-2022240966-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR OPNA IMMUNO-ONCOLOGY SA (CH) 2022-11-17 WO disclosed