SCHEMBL29396135

SCHEMBL29396135

CC1(C)COB(c2cc(-c3noc(C(F)(F)F)n3)ccc2C=O)OC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.41
HDAC6 Q9UBN7 13/20 0.41
HDAC8 Q9BY41 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 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
SCHEMBL30777475 0.75 HDAC6 (0.52) HDAC4HDAC6HDAC8HDAC1
SCHEMBL19014974 0.75 HDAC6 (0.52) HDAC4HDAC6HDAC8HDAC1
SCHEMBL24254418 0.75 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC1
SCHEMBL29395911 0.75 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC1
SCHEMBL22609172 0.73 HDAC4 (0.47) HDAC4HDAC6HDAC8HDAC1
SCHEMBL19030812 0.67 HDAC4 (0.57) HDAC4HDAC6HDAC8HDAC1
SCHEMBL18824381 0.66 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC1
SCHEMBL22626859 0.66 HDAC4 (0.39) HDAC4HDAC6HDAC8HDAC1
SCHEMBL14044148 0.66 MEN1 (0.39)
SCHEMBL19745563 0.66 HDAC6 (0.51) HDAC4HDAC6HDAC8HDAC1

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
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed