SCHEMBL1704489

SCHEMBL1704489

CC(C)(C)OC(=O)CCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.54
LPL P06858 6/20 0.54
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
HIF1A Q16665 2/20 0.36
DGAT1 O75907 1/20 0.36
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL14366710 0.88 LIPG (0.50) LIPGLPLPRMT5WDR77AAK1
SCHEMBL10733 0.86 LIPG (0.58) LIPGLPLHIF1ADGAT1AKR1C3
SCHEMBL13239269 0.85 LIPG (0.54) LIPGLPLPRMT5WDR77AAK1
SCHEMBL2823269 0.84 LIPG (0.59) LIPGLPLHIF1AAKR1C3AKR1C2
SCHEMBL2144320 0.82 LIPG (0.51) LIPGLPLPRMT5WDR77AAK1
SCHEMBL901322 0.82 LIPG (0.74) LIPGLPLF2F11PRSS1
SCHEMBL13739884 0.82 PRMT5 (0.42) LIPGLPLPRMT5WDR77AAK1
SCHEMBL1802895 0.81 LIPG (0.55) LIPGLPLPRMT5WDR77AAK1
SCHEMBL28810425 0.81 LIPG (0.51) LIPGLPLPRMT5WDR77AAK1
SCHEMBL23544352 0.80 PRMT5 (0.42) LIPGLPLPRMT5WDR77AAK1

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed