SCHEMBL13625979

SCHEMBL13625979

NC(=O)COCC(=O)Nc1ccc(CCC(=O)NCCC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38

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
SCHEMBL13625389 0.88 ALDH1A1 (0.45) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13625474 0.86 ALDH1A1 (0.53) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL14147680 0.80 GAA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19647049 0.79 GAA (0.54) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13471996 0.79 HDAC1 (0.41) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13643863 0.78 ALDH1A1 (0.50) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13625669 0.76 POLB (0.47) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13884412 0.75 ALDH1A1 (0.47) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL16425189 0.74 HPGD (0.58) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13643866 0.74 ALDH1A1 (0.48) HPGDALDH1A1HDAC3HDAC4HDAC1

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-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed