SCHEMBL20961263

SCHEMBL20961263

NC(=O)CCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.80
FABP4 P15090 3/20 0.75
FABP5 Q01469 3/20 0.75
HDAC6 Q9UBN7 5/20 0.69
HDAC1 Q13547 4/20 0.69
FABP3 P05413 1/20 0.61
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
ACHE P22303 1/20 0.50
CNR2 P34972 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
FNTA P49354 1/20 0.49

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
SCHEMBL20961100 0.98 KDM4E (0.77) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL3316192 0.95 KDM4E (0.83) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL3322057 0.89 KDM4E (1.00) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL12951764 0.86 FABP4 (1.00) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL31156410 0.84 FABP4 (0.97) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL29114062 0.84 FABP4 (0.97) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL6419189 0.84 FABP4 (0.97) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL12938804 0.84 FABP4 (0.73) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL6833930 0.84 FABP4 (0.97) KDM4EFABP4FABP5HDAC6HDAC1
SCHEMBL12938815 0.83 FABP4 (0.71) KDM4EFABP4FABP5HDAC6HDAC1

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-2456757-B1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-05-01 EP disclosed