SCHEMBL8228945

SCHEMBL8228945

N=C(CCCCCCC(=O)NO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.73
HDAC8 Q9BY41 11/20 0.73
HDAC2 Q92769 7/20 0.66
HDAC6 Q9UBN7 6/20 0.66
HDAC3 O15379 5/20 0.66
HDAC4 P56524 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
HDAC9 Q9UKV0 4/20 0.66
HDAC5 Q9UQL6 4/20 0.66
HDAC10 Q969S8 3/20 0.66
ALOX5 P09917 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
SCHEMBL14404135 0.91 HDAC1 (0.70) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL1520838 0.84 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
Biphenyl SCHEMBL3125392 0.80 HDAC1 (0.71) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL13783904 0.79 HDAC8 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8235017 0.79 HDAC8 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL6387051 0.79 HDAC6 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL6385727 0.79 HDAC6 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL12889789 0.78 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8226957 0.78 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL6389005 0.78 HDAC6 (0.97) HDAC1HDAC8HDAC2HDAC6HDAC3

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-2007072179-A2 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE, INC. (CA) 2007-06-28 WO disclosed