SCHEMBL28533320

SCHEMBL28533320

[2H]C([2H])([2H])Cc1ccc(B(O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.71
LIPG Q9Y5X9 7/20 0.71
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
F11 P03951 1/20 0.50
MGLL Q99685 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
ENPP2 Q13822 5/20 0.42
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL150306 0.83 LPL (1.00) LPLLIPGCA2CA1F11
SCHEMBL28538692 0.80 LPL (0.56) LPLLIPGCA2CA1F11
SCHEMBL2482085 0.77 LPL (0.86) LPLLIPGCA2CA1F11
SCHEMBL28533343 0.74 LPL (0.67) LPLLIPGCA2CA1F11
SCHEMBL29037583 0.74 LPL (0.79) LPLLIPGCA2CA1F11
SCHEMBL13667094 0.72 LPL (0.64) LPLLIPGCA2CA1F11
SCHEMBL890400 0.72 LPL (0.73) LPLLIPGCA2CA1F11
SCHEMBL204921 0.71 ENPP2 (0.73) LPLLIPGCA2CA1F11
SCHEMBL112402 0.70 LPL (0.61) LPLLIPGCA2CA1F11
SCHEMBL257735 0.70 LPL (1.00) LPLLIPGCA2CA1F11

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
CN-108640958-B Isobenzofuran derivatives, pharmaceutical compositions and formulations thereof, and uses thereof 镇江圣安医药有限公司 2021-03-30 CN disclosed