SCHEMBL9988018

SCHEMBL9988018

CC(C)(C)[Si](C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)cc(B(O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
ENPP2 Q13822 2/20 0.36
PREP P48147 4/20 0.33
CA2 P00918 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 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
SCHEMBL21751355 0.88 CA12 (0.34) CA1CA12CA9ENPP2PREP
SCHEMBL17318153 0.83 CA12 (0.47) CA1CA12CA9PREP
SCHEMBL1881020 0.82 ENPP2 (0.56) CA1CA12CA9ENPP2CA2
SCHEMBL29955070 0.82 CA12 (0.35) CA1CA12CA9ENPP2PREP
SCHEMBL282583 0.81 CA1 (0.50) CA1CA12CA9ENPP2PREP
SCHEMBL1594100 0.79 CA1 (0.42) CA1CA12CA9PREPCA2
SCHEMBL2026755 0.78 CA12 (0.40) CA1CA12CA9PREP
SCHEMBL932807 0.78 CA1 (0.52) CA1CA12CA9ENPP2PREP
SCHEMBL29954502 0.78 CA1 (0.52) CA1CA12CA9ENPP2PREP
SCHEMBL14270115 0.77 ALOX5AP (0.34)

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 2 patents. 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
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed