SCHEMBL28817249

SCHEMBL28817249

CC(C)(COC(N)=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
F11 P03951 3/20 0.45
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
AAK1 Q2M2I8 1/20 0.42
HIF1A Q16665 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
P4HB P07237 1/20 0.40
LIPG Q9Y5X9 5/20 0.40

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
SCHEMBL15774912 0.82 F11 (0.48) DGAT1F11F2PRSS1PRSS2
SCHEMBL23305795 0.79 F11 (0.48) DGAT1F11F2PRSS1PRSS2
SCHEMBL15774694 0.78 F11 (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL5336869 0.77 F11 (0.56) F11F2PRSS1PRSS2PRSS3
SCHEMBL15774945 0.76 LPL (0.49) F11F2PRSS1PRSS2PRSS3
SCHEMBL15775042 0.76 LPL (0.49) F11F2PRSS1PRSS2PRSS3
SCHEMBL2282563 0.76 F11 (0.37) DGAT1F11F2PRSS1PRSS2
SCHEMBL16112518 0.75 LIPG (0.56) F11F2PRSS1PRSS2PRSS3
SCHEMBL4482694 0.75 LPL (0.54) F11CA1CA2CA9P4HB
SCHEMBL10458 0.74 DGAT1 (0.53) DGAT1F11F2PRSS1PRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed
CN-107573295-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2020-12-15 CN disclosed