SCHEMBL25916637

SCHEMBL25916637

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C1=CCCN(CC(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.33
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31

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
SCHEMBL25916636 0.81 HTR2A (0.39) LPLLIPG
SCHEMBL21198134 0.73 ROCK1 (0.41) ROCK1LPLLIPG
SCHEMBL15796068 0.68 HDAC3 (0.43) ROCK1LPLLIPG
SCHEMBL3260141 0.67 LPL (0.47) LPLLIPG
SCHEMBL15168853 0.67 LPL (0.41) LPLLIPG
SCHEMBL25916640 0.66 ROCK1 (0.38) ROCK1LPLLIPG
SCHEMBL31642273 0.66 SIK2 (0.39) ROCK1
SCHEMBL24504339 0.66 LPL (0.42) LPLLIPG
SCHEMBL14315655 0.66 LIPG (0.45) LPLLIPG
SCHEMBL4384473 0.65 LPL (0.39) LPLLIPG

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