SCHEMBL25156271

SCHEMBL25156271

CC(C)(C)OC(=O)NC1(c2ccccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC4 P56524 2/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 1/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MAPK10 P53779 1/20 0.39
AKT1 P31749 1/20 0.38
DRD2 P14416 2/20 0.37
SLC6A4 P31645 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
OPRK1 P41145 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL30344873 1.00 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL30890423 0.85 AKT1 (0.39) MAPK10AKT1LMNAGHSRPOLB
SCHEMBL22615404 0.83 NPC1 (0.46) MAPK10AKT1GHSR
SCHEMBL29425122 0.83 NPC1 (0.46) MAPK10AKT1GHSR
SCHEMBL30537895 0.82 MEN1 (0.39) MAPK10AKT1GHSR
SCHEMBL30344367 0.82 HDAC4 (0.46) HDAC4MAPK10AKT1DRD2LMNA
SCHEMBL25156176 0.82 HDAC4 (0.46) HDAC4MAPK10AKT1DRD2LMNA
SCHEMBL27088912 0.81 POLB (0.44) CNR1CNR2AKT1DRD2LMNA
SCHEMBL31115209 0.81 ATR (0.38) ROCK2CNR1CNR2AKT1DRD2
SCHEMBL18981959 0.81 ATR (0.38) ROCK2CNR1CNR2AKT1DRD2

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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed