SCHEMBL14340356

SCHEMBL14340356

NC(=O)/C=C/c1ccc(CN(CCOC(=O)C2CCCCC2)CCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.57
▸ HDAC3 O15379 8/20 0.57
▸ HDAC4 P56524 8/20 0.57
▸ HDAC7 Q8WUI4 8/20 0.57
▸ HDAC2 Q92769 8/20 0.57
▸ HDAC10 Q969S8 8/20 0.57
▸ HDAC11 Q96DB2 8/20 0.57
▸ HDAC8 Q9BY41 8/20 0.57
▸ HDAC6 Q9UBN7 8/20 0.57
▸ HDAC9 Q9UKV0 8/20 0.57
▸ HDAC5 Q9UQL6 8/20 0.57
▸ KCNH2 Q12809 5/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ NAMPT P43490 4/20 0.44
▸ MTNR1A P48039 1/20 0.42

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
SCHEMBL13949861 0.91 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8241774 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14340023 0.84 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13949896 0.81 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14340266 0.80 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15482180 0.80 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23054920 0.79 HDAC1 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14394459 0.79 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14340000 0.79 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13949863 0.77 HDAC1 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2

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
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 — — EP disclosed
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