SCHEMBL13070935

SCHEMBL13070935

Bc1ccc2c(c1)CCc1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.39
LIPG Q9Y5X9 13/20 0.39
ROCK1 Q13464 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ESR2 Q92731 1/20 0.34
F11 P03951 1/20 0.33
P2RX7 Q99572 1/20 0.33
BACE1 P56817 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
SCHEMBL204451 0.91 LPL (0.46) LPLLIPGROCK1CA1CA2
SCHEMBL24411917 0.82 LPL (0.39) LPLLIPGROCK1ESR2F11
SCHEMBL202622 0.80 LIPG (0.46) LPLLIPGROCK1CA1CA2
SCHEMBL30860136 0.80 LIPG (0.46) LPLLIPGROCK1CA1CA2
SCHEMBL31222883 0.80 CASP1 (0.45) LPLLIPGROCK1CA1CA2
SCHEMBL483144 0.80 CASP1 (0.45) LPLLIPGROCK1CA1CA2
SCHEMBL15429671 0.79 LIPG (0.49) LPLLIPGROCK1CA1CA2
SCHEMBL16639375 0.79 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL29502333 0.79 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL17481114 0.78 BACE1 (0.34) LPLLIPGBACE1

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