SCHEMBL3232186

SCHEMBL3232186

Cc1ccc(NC(=O)CCCCC(C(N)=O)c2cccc(C)c2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.50
HDAC3 O15379 7/20 0.50
HDAC2 Q92769 7/20 0.50
HDAC10 Q969S8 7/20 0.50
HDAC11 Q96DB2 6/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
NCOR2 Q9Y618 1/20 0.48
LTA4H P09960 3/20 0.46
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1065607 0.86 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3227550 0.82 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3242093 0.79 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3234097 0.78 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3232190 0.77 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3238238 0.77 L3MBTL1 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL1063952 0.76 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3233819 0.76 HDAC3 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL16011052 0.76 HDAC4 (0.60) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3236756 0.76 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC11

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