SCHEMBL14340366

SCHEMBL14340366

O=C(/C=C/C1=CC=C(CN(CC2CCCCC2)CC2CCCCC2)CC1)NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.44
▸ HDAC6 Q9UBN7 7/20 0.44
▸ HDAC3 O15379 6/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC4 P56524 4/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ KCNH2 Q12809 1/20 0.38
▸ MEF2D Q14814 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL8235166 0.76 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL17483891 0.67 HDAC1 (0.71) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL18088414 0.62 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL17483888 0.60 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL18046216 0.59 HDAC8 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL18046214 0.59 HDAC8 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL12049804 0.57 NR1D1 (0.48) HDAC1HDAC6
SCHEMBL18046483 0.57 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL18046481 0.57 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL20989325 0.56 SMN1; SMN2 (0.35) HDAC1HDAC6ALDH1A1

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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