SCHEMBL14917705

SCHEMBL14917705

O=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC(O)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 0.65
HDAC6 Q9UBN7 11/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL14917704 1.00 HDAC4 (0.65) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918183 0.85 HDAC4 (0.62) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918046 0.82 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918645 0.80 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14645650 0.79 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917953 0.78 HDAC4 (0.49) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14917713 0.77 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918406 0.76 HDAC4 (0.49) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL19042611 0.76 HDAC4 (0.67) HDAC4HDAC6HDAC2HDAC8
SCHEMBL443190 0.75 HDAC6 (0.46) HDAC4HDAC6HDAC1HDAC3HDAC7

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
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed