SCHEMBL1411157

SCHEMBL1411157

O=C(/C=C/c1ccc(CN[C@](C(=O)O)(c2ccccc2)C2CCCC2)cn1)NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.44
HDAC3 O15379 18/20 0.44
HDAC8 Q9BY41 18/20 0.44
HDAC4 P56524 17/20 0.44
HDAC6 Q9UBN7 17/20 0.44
HDAC5 Q9UQL6 14/20 0.44
HDAC2 Q92769 14/20 0.44
HDAC7 Q8WUI4 12/20 0.44
HDAC10 Q969S8 12/20 0.44
HDAC11 Q96DB2 12/20 0.44
HDAC9 Q9UKV0 12/20 0.44
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1411159 1.00 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1410554 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1411340 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1410552 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1411342 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1411202 0.84 HDAC1 (0.45) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1411198 0.84 HDAC1 (0.45) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1410811 0.81 HDAC4 (0.55) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1410813 0.81 HDAC4 (0.55) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1410528 0.81 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC4HDAC6

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