SCHEMBL5797675

SCHEMBL5797675

CN(C)CC(=Cc1ccc(C(=O)NO)cc1)CC(O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC1 Q13547 11/20 0.41
HDAC4 P56524 4/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
P2RX3 P56373 1/20 0.38
MMP3 P08254 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL5797812 0.88 DHODH (0.42)
SCHEMBL5797676 0.84 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5797642 0.81 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5799447 0.81 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5796847 0.81 HDAC6 (0.40) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5797353 0.79 P2RX3 (0.50) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5798786 0.79 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5796436 0.78 HDAC1 (0.45) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5807646 0.78 P2RX3 (0.48) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5807650 0.78 P2RX3 (0.48) HDAC6HDAC8HDAC1HDAC4HDAC3

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO claimed
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed