SCHEMBL30009552

SCHEMBL30009552

COc1c(C=O)ccc(B2OC(C)(C)C(C)(C)O2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 3/20 0.33
MCL1 Q07820 1/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SNCA P37840 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
UCHL1 P09936 1/20 0.32
ERN1 O75460 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SRC P12931 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL20742322 0.87 CA1 (0.33) CA1CA2ALDH1A1MCL1TRIM24
SCHEMBL31035610 0.81 CA1 (0.40) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL25594012 0.77 ERN1 (0.49) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL1135193 0.77 ALDH1A1 (0.50) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL2298163 0.76 LPL (0.39) CA1CA2CA9KMT2ALPL
SCHEMBL29729025 0.75 CA1 (0.59) CA1CA2ALDH1A1MCL1TRIM24
SCHEMBL3345839 0.75 CA1 (0.59) CA1CA2ALDH1A1MCL1TRIM24
SCHEMBL28867630 0.75 CA1 (0.37) CA1CA2ALDH1A1ERN1SRC
SCHEMBL29793277 0.73 LPL (0.38) ALDH1A1MCL1KMT2ALPLLIPG
SCHEMBL3040438 0.73 LPL (0.38) ALDH1A1MCL1KMT2ALPLLIPG

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
EP-4041724-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-08-17 EP disclosed