SCHEMBL8323882

SCHEMBL8323882

CC(=O)c1[nH]c(Cc2ccc(/C=C/C(=O)NOC3CCCCO3)cc2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
TGFBR1 P36897 1/20 0.38
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8324372 0.89 HDAC1 (0.41) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8319218 0.83 HDAC1 (0.40) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8323965 0.83 HDAC1 (0.41) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8323566 0.82 MAPT (0.35) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8320188 0.81 HDAC1 (0.46) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8324785 0.81 HDAC1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8327535 0.81 HDAC1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8327941 0.81 HDAC1 (0.38) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8320255 0.80 HDAC8 (0.40) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL8327646 0.80 HDAC1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC6

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