SCHEMBL13070586

SCHEMBL13070586

Cc1ccc2c(c1)C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CSF1R P07333 1/20 0.41
LPL P06858 6/20 0.40
LIPG Q9Y5X9 6/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL204700 0.92 CA1 (0.46) CA1CA2CA9CA4CA7
SCHEMBL26773264 0.86 LPL (0.49) ELANECA1CA2CA9CA4
SCHEMBL16265633 0.84 CA1 (0.41) CA1CA2CA9CA4CA7
SCHEMBL18719776 0.84 LPL (0.50) ELANECA1CA2CA9CA4
SCHEMBL13487421 0.83 LPL (0.49) ELANEMAOACA1CA2CA9
SCHEMBL19651133 0.82 CA1 (0.46) CA1CA2CA9CA4CA7
SCHEMBL19651118 0.79 LPL (0.49) MAOACA1CA2CA9CA4
SCHEMBL13406686 0.79 CA1 (0.37) CA1CA2CA9CA4CA7
SCHEMBL1903016 0.78 LPL (0.50) CA1CA2CA9CA4CA7
SCHEMBL16581306 0.76 LPL (0.56) CA1CA2CA9CA4CA7

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-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed