SCHEMBL14720169

SCHEMBL14720169

CC(C)COC(=O)n1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.46
AAK1 Q2M2I8 3/20 0.35
DGAT1 O75907 1/20 0.35
KMO O15229 2/20 0.33
FFAR1 O14842 1/20 0.33
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
LPL P06858 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
UCHL1 P09936 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2032805 0.92 IRAK4 (0.39) IRAK4AAK1DGAT1FFAR1ROCK1
SCHEMBL795413 0.81 IRAK4 (0.48) IRAK4AAK1DGAT1FFAR1ROCK1
SCHEMBL29477628 0.81 IRAK4 (0.48) IRAK4AAK1DGAT1FFAR1ROCK1
SCHEMBL6125749 0.81 IRAK4 (0.54) IRAK4DGAT1KMOFFAR1ROCK1
SCHEMBL4658528 0.78 AAK1 (0.36) IRAK4AAK1DGAT1ROCK1HIF1A
SCHEMBL10687 0.77 KMO (0.46) IRAK4KMOGPR119ALDH1A1
SCHEMBL14720209 0.76 AAK1 (0.36) IRAK4AAK1DGAT1ROCK1HIF1A
SCHEMBL3453737 0.75 DGAT1 (0.42) IRAK4DGAT1ROCK1LIPGLPL
SCHEMBL2029704 0.74 AAK1 (0.37) AAK1DGAT1ROCK1HIF1ALIPG
SCHEMBL381301 0.74 FFAR1 (0.46) AAK1DGAT1FFAR1UCHL1ALDH1A1

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-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed