SCHEMBL4045906

SCHEMBL4045906

CC(C)(C)C(=O)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.41
LIPG Q9Y5X9 3/20 0.41
LPL P06858 2/20 0.41
CA2 P00918 3/20 0.40
HIF1A Q16665 1/20 0.39
DGAT1 O75907 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL28809490 0.87 LIPG (0.43) ELANELIPGLPLCA2HIF1A
SCHEMBL25427311 0.86 DGAT1 (0.41) LIPGLPLCA2HIF1ADGAT1
SCHEMBL3451076 0.84 CYP3A4 (0.50) LIPGLPLCA2HIF1ACA1
SCHEMBL1318656 0.84 ELANE (0.42) ELANELIPGLPLCA2HIF1A
SCHEMBL5761327 0.83 MEN1 (0.54) LIPGLPLCA2HIF1ACA1
SCHEMBL28469721 0.83 AAK1 (0.40) LIPGLPLCA2HIF1ADGAT1
SCHEMBL18241283 0.81 LIPG (0.41) LIPGLPLCA2HIF1ACA1
SCHEMBL29913985 0.81 ACHE (0.50) ELANELIPGLPLCA2HIF1A
SCHEMBL25491942 0.81 LIPG (0.41) LIPGLPLCA2HIF1ACA1
SCHEMBL15639905 0.81 ACHE (0.50) LIPGLPL

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-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed