SCHEMBL27362053

SCHEMBL27362053

CC(C)N(Cc1ccccc1)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.68
HDAC1 Q13547 12/20 0.68
HDAC8 Q9BY41 9/20 0.68
HDAC3 O15379 3/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.56
OPRK1 P41145 1/20 0.55
HDAC4 P56524 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL27360989 0.85 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12472237 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL27360994 0.79 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL3635237 0.78 TSHR (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL8241462 0.77 HDAC1 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL5020665 0.77 HDAC1 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12850618 0.77 HDAC1 (0.79) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL1367947 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL4930132 0.75 HDAC1 (0.76) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL1986357 0.74 HDAC1 (0.96) HDAC6HDAC1HDAC8HDAC3HDAC7

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-2024028654-A2 HISTONE DEACETYLASE INHIBITORS AND USE OF THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-02-08 WO disclosed