SCHEMBL3228441

SCHEMBL3228441

Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(F)cc2N)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.72
HDAC1 Q13547 18/20 0.72
NCOR2 Q9Y618 4/20 0.72
HDAC2 Q92769 9/20 0.69
HDAC10 Q969S8 5/20 0.69
HDAC6 Q9UBN7 6/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55

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
SCHEMBL3234137 0.92 HDAC3 (0.70) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL3233788 0.90 HDAC1 (0.69) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL3227555 0.90 HDAC1 (0.76) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL3242100 0.89 HDAC1 (0.70) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL7929398 0.88 HDAC1 (0.74) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL3233823 0.86 HDAC3 (0.71) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL3238549 0.84 HDAC1 (0.65) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL2618066 0.84 HDAC1 (0.69) HDAC3HDAC1NCOR2HDAC2HDAC10
SCHEMBL528531 0.84 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL3238246 0.83 HDAC1 (0.66) HDAC3HDAC1NCOR2HDAC2HDAC10

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