SCHEMBL1410813

SCHEMBL1410813

O=C(C=Cc1cccc(CN[C@](C(=O)O)(c2ccccc2)C2CCCC2)c1)NO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.55
MEF2D Q14814 17/20 0.55
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HDAC2 Q92769 2/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL1410811 1.00 HDAC4 (0.55) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411342 0.90 HDAC1 (0.54) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1411340 0.90 HDAC1 (0.54) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1410552 0.90 HDAC1 (0.54) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1410554 0.90 HDAC1 (0.54) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1411177 0.85 HDAC4 (0.56) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411182 0.85 HDAC4 (0.56) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411157 0.81 HDAC1 (0.44) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1411159 0.81 HDAC1 (0.44) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1411295 0.81 HDAC1 (0.55) HDAC4MEF2DHDAC3HDAC1HDAC8

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-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed