SCHEMBL1410554

SCHEMBL1410554

O=C(C=Cc1ccc(CN[C@@](C(=O)O)(c2ccccc2)C2CCCC2)cc1)NO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.54
HDAC2 Q92769 16/20 0.54
HDAC3 O15379 14/20 0.54
HDAC8 Q9BY41 14/20 0.54
HDAC6 Q9UBN7 12/20 0.54
HDAC5 Q9UQL6 10/20 0.54
HDAC4 P56524 10/20 0.54
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
HDAC7 Q8WUI4 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC9 Q9UKV0 8/20 0.47
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL1410552 1.00 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1411342 1.00 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1411340 1.00 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1410813 0.90 HDAC4 (0.55) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1410811 0.90 HDAC4 (0.55) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1411159 0.87 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1411157 0.87 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1410318 0.83 HDAC8 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1410316 0.83 HDAC8 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1410833 0.82 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC8HDAC6

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