SCHEMBL13664730

SCHEMBL13664730

CCCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
CTSK P43235 7/20 0.52
CTSS P25774 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL29696190 0.92 HDAC4 (0.56) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29386619 0.92 HDAC4 (0.56) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL19932068 0.86 SMN1; SMN2 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29384053 0.85 HDAC4 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29696206 0.85 HDAC4 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL13664813 0.84 SMN1; SMN2 (0.69) HDAC4HDAC1CTSKCTSSSMN1; SMN2
SCHEMBL23483309 0.83 CTSK (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL26436622 0.82 HDAC4 (0.65) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL23454631 0.82 HDAC4 (0.65) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL19931848 0.80 HDAC4 (0.49) HDAC4HDAC1HDAC3HDAC7HDAC2

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed