SCHEMBL22816786

SCHEMBL22816786

CC(C)N1C[C@@H](C)Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.35
LPL P06858 10/20 0.35
LIPG Q9Y5X9 10/20 0.35
ROCK1 Q13464 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
EGFR P00533 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
SCHEMBL28988087 0.79 NOTUM (0.43) BACE1LPLLIPGROCK1IRAK4
SCHEMBL23484481 0.77 BACE1 (0.38) BACE1LPLLIPGROCK1IRAK4
SCHEMBL15096664 0.75 LIPG (0.42) BACE1LPLLIPGROCK1IRAK4
SCHEMBL15854890 0.74 LIPG (0.41) LPLLIPGROCK1IRAK4EGFR
SCHEMBL23564363 0.71 ROCK1 (0.37) BACE1LPLLIPGROCK1IRAK4
SCHEMBL24741504 0.70 LPL (0.38) BACE1LPLLIPGROCK1IRAK4
SCHEMBL4758599 0.70 LPL (0.38) BACE1LPLLIPGROCK1IRAK4
SCHEMBL22816709 0.69 BACE1 (0.40) BACE1LPLLIPGROCK1IRAK4
SCHEMBL22655375 0.69 BACE1 (0.44) BACE1LPLLIPGROCK1IDO1
SCHEMBL15795865 0.69 PRF1 (0.41) BACE1LPLLIPGROCK1IDO1

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-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed