SCHEMBL3232190

SCHEMBL3232190

Cc1ccc(NC(=O)CCCCCC(=O)Nc2cccc(C)c2N)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.72
HDAC3 O15379 13/20 0.72
HDAC2 Q92769 12/20 0.72
HDAC10 Q969S8 10/20 0.72
HDAC8 Q9BY41 10/20 0.59
HDAC11 Q96DB2 9/20 0.59
HDAC6 Q9UBN7 9/20 0.59
NCOR2 Q9Y618 4/20 0.59
HDAC4 P56524 10/20 0.57
HDAC7 Q8WUI4 8/20 0.57
HDAC9 Q9UKV0 8/20 0.57
HDAC5 Q9UQL6 8/20 0.57
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 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
SCHEMBL30013157 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL1065609 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL3235354 0.80 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL17153889 0.80 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL517697 0.80 HDAC3 (0.86) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL27910331 0.79 MAPK1 (0.57) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL3227555 0.78 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL3235344 0.78 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2319941 0.78 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL3232186 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC10HDAC8

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
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