SCHEMBL20180416

SCHEMBL20180416

CC1(C)OB(c2cccc(-n3ccc4cc5ccccc5cc43)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.44
LIPG Q9Y5X9 7/20 0.44
IRAK4 Q9NWZ3 1/20 0.37
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
BACE1 P56817 1/20 0.31
ROCK1 Q13464 1/20 0.31
BIRC5 O15392 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 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
SCHEMBL19119810 0.90 LPL (0.43) LPLLIPGIRAK4ROCK2PIM1
SCHEMBL20180139 0.83 LIPG (0.49) LPLLIPGIRAK4ROCK2PIM1
SCHEMBL20180253 0.81 LPL (0.41) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL15533400 0.80 LPL (0.46) LPLLIPGIRAK4ROCK1BIRC5
SCHEMBL20180310 0.80 LPL (0.42) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL16600019 0.79 LPL (0.44) LPLLIPGIRAK4ROCK1BIRC5
SCHEMBL15596458 0.76 LPL (0.38) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL2221017 0.76 LIPG (0.42) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL15748728 0.76 LPL (0.37) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL20180344 0.75 LIPG (0.40) LPLLIPGIRAK4ROCK2PIM1

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed