SCHEMBL14345701

SCHEMBL14345701

COc1cc(-c2noc([C@H](CCCCNS(N)(=O)=O)NC(=O)OCc3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.74
HDAC1 Q13547 18/20 0.59
HDAC3 O15379 15/20 0.59
HDAC4 P56524 15/20 0.59
HDAC7 Q8WUI4 15/20 0.59
HDAC2 Q92769 15/20 0.59
HDAC10 Q969S8 15/20 0.59
HDAC11 Q96DB2 15/20 0.59
HDAC8 Q9BY41 15/20 0.59
HDAC9 Q9UKV0 15/20 0.59
HDAC5 Q9UQL6 15/20 0.59

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
SCHEMBL14345572 0.90 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8403304 0.88 HDAC6 (0.82) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14345697 0.87 HDAC6 (0.89) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5356633 0.87 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8401966 0.87 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14345610 0.87 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8403069 0.86 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8110103 0.86 HDAC6 (0.81) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5351539 0.86 MAPT (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5351536 0.86 MAPT (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7

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-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed