SCHEMBL19723095

SCHEMBL19723095

CC(C)(C)OCC(NCc1ccc(CNCc2ccc(/C=C/C(=O)NO)cc2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.51
HDAC3 O15379 15/20 0.51
HDAC8 Q9BY41 14/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC5 Q9UQL6 4/20 0.51
HDAC2 Q92769 15/20 0.47
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
KDM1A O60341 2/20 0.40
KCNH2 Q12809 1/20 0.40
MEF2D Q14814 1/20 0.40

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
SCHEMBL1411190 1.00 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1411193 1.00 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410711 0.97 HDAC3 (0.48) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1411564 0.97 HDAC3 (0.48) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1411557 0.97 HDAC3 (0.48) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410714 0.97 HDAC3 (0.48) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410971 0.93 HDAC4 (0.51) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410977 0.93 HDAC4 (0.51) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL12810013 0.84 MAPK14 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL8203850 0.84 MAPK14 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4

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-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed