SCHEMBL3237182

SCHEMBL3237182

Cc1ccc(NC(=O)CCC(=O)CCC(=O)Nc2ccccc2N)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.80
HDAC3 O15379 10/20 0.80
HDAC2 Q92769 8/20 0.80
HDAC10 Q969S8 6/20 0.80
HDAC4 P56524 6/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC6 Q9UBN7 5/20 0.62
HDAC7 Q8WUI4 4/20 0.62
HDAC11 Q96DB2 4/20 0.62
HDAC9 Q9UKV0 4/20 0.62
HDAC5 Q9UQL6 4/20 0.62
NCOR2 Q9Y618 4/20 0.62
POLB P06746 1/20 0.55
PKM P14618 1/20 0.51

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
SCHEMBL30013157 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL1065609 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL3234341 0.86 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL12056144 0.79 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL6660579 0.78 POLB (0.68) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL14578751 0.78 POLB (0.85) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL7930926 0.78 HDAC3 (0.70) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL1902019 0.78 HDAC1 (0.97) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL12127106 0.77 HDAC4 (0.75) HDAC1HDAC3HDAC2HDAC10HDAC4
SCHEMBL3240726 0.77 MAPT (0.68) HDAC1HDAC3HDAC2HDAC10HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO claimed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed