SCHEMBL29958022

SCHEMBL29958022

[2H]C([2H])([2H])Sc1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
ENPP2 Q13822 6/20 0.42
CA1 P00915 4/20 0.41
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
MGLL Q99685 2/20 0.38
KDM4E B2RXH2 1/20 0.37
F11 P03951 1/20 0.35

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
SCHEMBL184212 0.83 CA2 (0.52) CA2LPLLIPGENPP2CA1
SCHEMBL5520697 0.81 CA2 (0.50) CA2LPLLIPGENPP2CA1
SCHEMBL6606099 0.77 CA2 (0.54) CA2LPLLIPGENPP2CA1
SCHEMBL29951972 0.75 ENPP2 (0.46) CA2LPLLIPGENPP2CA1
SCHEMBL16555943 0.73
SCHEMBL13309433 0.72 ENPP2 (0.52) CA2LPLLIPGENPP2CA1
SCHEMBL204921 0.71 ENPP2 (0.73) CA2LPLLIPGENPP2CA1
SCHEMBL15180203 0.70 CA2 (0.48) CA2LPLLIPGENPP2CA1
SCHEMBL31727451 0.70 TSHR (0.40) CA2CA1TSHRCA4CA6
Tolyl Boronic Acid SCHEMBL788942 0.69 CA2 (0.67) CA2LPLLIPGENPP2CA1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed