SCHEMBL7385877

SCHEMBL7385877

CCOC(=O)NCCC[C](C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 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
SCHEMBL10778878 0.86 ACHE (0.53) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL21068069 0.85 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7570219 0.85 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL23225636 0.85 HDAC3 (0.49) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7770088 0.84 ACHE (0.52) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL15549930 0.84 HTT (0.56) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL25349245 0.84 CYP1A2 (0.53) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL1023071 0.83 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL12417367 0.83 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL27712904 0.83 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7

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-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed