SCHEMBL1410318

SCHEMBL1410318

O=C(C=Cc1ccc(CN2CCC(CN[C@](C(=O)O)(c3ccccc3)C3CCCC3)CC2)cc1)NO

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.60
HDAC3 O15379 6/20 0.60
HDAC4 P56524 6/20 0.60
HDAC1 Q13547 6/20 0.60
HDAC6 Q9UBN7 6/20 0.60
HDAC5 Q9UQL6 6/20 0.60
HDAC7 Q8WUI4 5/20 0.60
HDAC2 Q92769 5/20 0.60
HDAC10 Q969S8 5/20 0.60
HDAC11 Q96DB2 5/20 0.60
HDAC9 Q9UKV0 5/20 0.60
BCHE P06276 6/20 0.52
ACHE P22303 6/20 0.52
MAOA P21397 2/20 0.52
KDM1A O60341 2/20 0.48
MAOB P27338 1/20 0.48
SLC2A1 P11166 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
SCHEMBL1410316 1.00 HDAC8 (0.60) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL1411306 0.85 HDAC1 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL1411300 0.85 HDAC1 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL1410552 0.83 HDAC1 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL1411340 0.83 HDAC1 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL1410554 0.83 HDAC1 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL1411342 0.83 HDAC1 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL726133 0.80 HDAC8 (0.72) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL726134 0.80 HDAC8 (0.72) HDAC8HDAC3HDAC4HDAC1HDAC6
SCHEMBL19712557 0.76 HDAC8 (0.51) HDAC8HDAC3HDAC4HDAC1HDAC6

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