SCHEMBL25916642

SCHEMBL25916642

CC1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.47
LPL P06858 8/20 0.47
DGAT1 O75907 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 1/20 0.36
ROCK1 Q13464 1/20 0.36
P4HB P07237 1/20 0.35

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
SCHEMBL25916638 0.85 MAPT (0.34) LIPGLPLDGAT1MAPTROCK1
SCHEMBL25916640 0.84 ROCK1 (0.38) LIPGLPLDGAT1MAPTROCK1
SCHEMBL16611970 0.74 LIPG (0.51) LIPGLPL
SCHEMBL30613529 0.70 ALDH1A1 (0.54) LIPGLPLMAPT
SCHEMBL26988951 0.70 ALDH1A1 (0.54) LIPGLPLMAPT
SCHEMBL15867805 0.69 LIPG (0.49) LIPGLPL
SCHEMBL13663767 0.67 MAPT (0.40) MAPT
SCHEMBL13663770 0.67 MAPT (0.40) MAPT
SCHEMBL10021061 0.67 LIPG (1.00) LIPGLPLDGAT1KEAP1NFE2L2
SCHEMBL476870 0.67 LIPG (1.00) LIPGLPLDGAT1KEAP1NFE2L2

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