SCHEMBL25916640

SCHEMBL25916640

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C1=CCC(C)N(Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
LIPG Q9Y5X9 5/20 0.34
LPL P06858 4/20 0.34
MAPT P10636 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
DGAT1 O75907 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
P4HB P07237 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
SCHEMBL25916642 0.84 LIPG (0.47) ROCK1LIPGLPLMAPTDGAT1
SCHEMBL25916638 0.81 MAPT (0.34) ROCK1LIPGLPLMAPTDGAT1
SCHEMBL25916636 0.69 HTR2A (0.39) LIPGLPL
SCHEMBL623701 0.69 LIPG (0.62) ROCK1LIPGLPLPRMT5WDR77
SCHEMBL27026510 0.67 LPL (0.50) ROCK1LIPGLPLPRMT5WDR77
SCHEMBL13535660 0.67 PRMT5 (0.42) ROCK1LIPGLPLPRMT5WDR77
SCHEMBL25916637 0.66 ROCK1 (0.33) ROCK1LIPGLPL
SCHEMBL20287950 0.66 PRMT5 (0.55) LIPGLPLPRMT5WDR77
SCHEMBL12117403 0.66 LIPG (0.49) ROCK1LIPGLPLPRMT5WDR77
SCHEMBL22256237 0.66 LPL (0.45) ROCK1LIPGLPLPRMT5WDR77

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-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed