SCHEMBL14918330

SCHEMBL14918330

CCOc1cccc(C(=O)NCCOc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.62
HDAC6 Q9UBN7 14/20 0.62
HDAC1 Q13547 6/20 0.55
HDAC2 Q92769 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
NCOR2 Q9Y618 1/20 0.48
DGAT1 O75907 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
SCHEMBL14917713 0.86 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917711 0.86 HDAC6 (0.54) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917968 0.85 HDAC4 (0.69) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917939 0.83 HDAC4 (0.68) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918098 0.82 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917845 0.81 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918212 0.81 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917998 0.80 HDAC4 (0.62) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918164 0.80 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918468 0.80 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC2HDAC8

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