SCHEMBL8318678

SCHEMBL8318678

Cn1c(Cc2ccc(/C=C/C(=O)NOC3CCCCO3)cc2)nc2cc(N3CCOCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8321030 0.80 HDAC1 (0.44) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL22641730 0.80 MAPT (0.48) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8325208 0.79 HDAC1 (0.47) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8326119 0.79 HDAC1 (0.46) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL22641632 0.76 HDAC3 (0.50) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8324552 0.76 LMNA (0.47) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL22579255 0.75 MAPT (0.42) HDAC1HDAC4MAPTLMNAKDM4E
SCHEMBL22641675 0.74 MAPT (0.47) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL15341321 0.73 TRPV1 (0.46) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL15341322 0.72 HDAC8 (0.43) HDAC1HDAC8HDAC3HDAC4HDAC2

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
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