SCHEMBL1410595

SCHEMBL1410595

CC(C)C[C@H](NCc1ccc(/C=C/C(=O)NO)nc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.45
HDAC1 Q13547 13/20 0.45
HDAC8 Q9BY41 13/20 0.45
HDAC4 P56524 12/20 0.45
HDAC6 Q9UBN7 12/20 0.45
HDAC2 Q92769 9/20 0.45
HDAC7 Q8WUI4 8/20 0.45
HDAC10 Q969S8 8/20 0.45
HDAC11 Q96DB2 8/20 0.45
HDAC9 Q9UKV0 8/20 0.45
HDAC5 Q9UQL6 8/20 0.45
CTSK P43235 1/20 0.41
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
FOLH1 Q04609 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL1410602 1.00 HDAC3 (0.45) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410913 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410257 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410908 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410253 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411258 0.82 NPR3 (0.41) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411262 0.82 NPR3 (0.41) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411264 0.82 NPR3 (0.41) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411149 0.81 HDAC1 (0.62) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411147 0.81 HDAC1 (0.62) HDAC3HDAC1HDAC8HDAC4HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed