SCHEMBL20490201

SCHEMBL20490201

CC(C)c1ccc(-c2cccc(C(C(=O)NO)c3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.58
HDAC7 Q8WUI4 5/20 0.58
HDAC5 Q9UQL6 5/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
PTPN5 P54829 2/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PTGS2 P35354 1/20 0.44
PSEN1 P49768 1/20 0.44

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
SCHEMBL20490227 0.91 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2870552 0.90 HDAC4 (0.72) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490427 0.87 HDAC4 (0.61) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490367 0.87 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL27777137 0.87 HDAC4 (0.78) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490331 0.85 HDAC4 (0.54) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2842461 0.85 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490466 0.84 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL4539938 0.84 HDAC4 (0.66) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490608 0.84 HDAC4 (0.63) HDAC4HDAC7HDAC5HDAC8HDAC3

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
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed