SCHEMBL29954502

SCHEMBL29954502

CC(C)(C)[Si](C)(C)Oc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA2 P00918 3/20 0.46
ENPP2 Q13822 4/20 0.39
PREP P48147 4/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34

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
SCHEMBL932807 1.00 CA1 (0.52) CA1CA12CA9CA2ENPP2
SCHEMBL282583 0.84 CA1 (0.50) CA1CA12CA9CA2ENPP2
SCHEMBL1881020 0.82 ENPP2 (0.56) CA1CA12CA9CA2ENPP2
SCHEMBL7127684 0.82 CA12 (0.57) CA1CA12CA9PREPHSP90AA1
SCHEMBL13196942 0.80 CA1 (0.39) CA1CA12CA9CA2ENPP2
SCHEMBL2523819 0.78 CA12 (0.56) CA1CA12CA9PREPHIF1A
SCHEMBL12017833 0.78 CA1 (0.59) CA1CA12CA9CA2PREP
SCHEMBL9988018 0.78 CA1 (0.38) CA1CA12CA9CA2ENPP2
SCHEMBL1680165 0.77 CA12 (0.55) CA1CA12CA9PREPHSP90AA1
SCHEMBL30186537 0.76 CA12 (0.58) CA1CA12CA9PREP

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