SCHEMBL25916638

SCHEMBL25916638

Cc1cc(C2=CCC(C)N(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
LIPG Q9Y5X9 3/20 0.33
LPL P06858 2/20 0.33
SIGMAR1 Q99720 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
ROCK1 Q13464 1/20 0.31
KLKB1 P03952 1/20 0.30
DGAT1 O75907 1/20 0.30
BRD4 O60885 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 0.85 LIPG (0.47) MAPTLIPGLPLROCK1DGAT1
SCHEMBL25916640 0.81 ROCK1 (0.38) MAPTLIPGLPLSIGMAR1PDK1
SCHEMBL13830608 0.70 LIPG (0.59) LIPGLPLDGAT1BRD4
SCHEMBL14696435 0.69 LIPG (0.45) LIPGLPL
SCHEMBL29253468 0.66 QDPR (0.44) MAPTHRH3
SCHEMBL13663767 0.65 MAPT (0.40) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL13663770 0.65 MAPT (0.40) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL31453994 0.64 LIPG (0.50) MAPTLIPGLPL
SCHEMBL31453989 0.64 LIPG (0.50) MAPTLIPGLPL
SCHEMBL17010798 0.64 LIPG (0.44) LIPGLPL

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