SCHEMBL5798786

SCHEMBL5798786

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC1 Q13547 11/20 0.42
HDAC4 P56524 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
METAP2 P50579 3/20 0.38
METAP1 P53582 3/20 0.38
MMP3 P08254 1/20 0.37
PLAU P00749 1/20 0.36
P2RX3 P56373 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
SCHEMBL5797675 0.79 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5797676 0.78 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5796847 0.76 HDAC6 (0.40) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5799447 0.75 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5797642 0.75 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5797353 0.75 P2RX3 (0.50) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5799320 0.73 HDAC1 (0.40) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5799057 0.72 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5796337 0.72 HDAC6 (0.38) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL5819578 0.72 HDAC6 (0.41) 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 1 patent. 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 disclosed