SCHEMBL6676557

SCHEMBL6676557

CC(C)(C)OC(=O)N(Cc1ccc(-c2noc(C(F)(F)C(F)(F)F)n2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.49
HDAC4 P56524 14/20 0.49
HDAC1 Q13547 9/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 5/20 0.46
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL6793694 0.96 HDAC4 (0.50) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL6651313 0.95 HDAC6 (0.47) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL6798232 0.91 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL29571861 0.88 HDAC4 (0.60) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL8363221 0.84 HDAC4 (0.46) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL23013776 0.80 HDAC4 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL20528841 0.77 HDAC4 (0.54) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL21900054 0.77 HDAC4 (0.55) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL23013566 0.77 HDAC6 (0.49) HDAC6HDAC4HDAC1HDAC5HDAC7
SCHEMBL21900051 0.76 HDAC4 (0.53) HDAC6HDAC4HDAC1HDAC5HDAC7

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-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed