SCHEMBL14392626

SCHEMBL14392626

CC(/C=C/C(=O)NC=O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.77
HDAC3 O15379 9/20 0.77
HDAC4 P56524 9/20 0.77
HDAC7 Q8WUI4 9/20 0.77
HDAC2 Q92769 9/20 0.77
HDAC10 Q969S8 9/20 0.77
HDAC8 Q9BY41 9/20 0.77
HDAC6 Q9UBN7 9/20 0.77
HDAC9 Q9UKV0 9/20 0.77
HDAC5 Q9UQL6 9/20 0.77
HDAC11 Q96DB2 8/20 0.77
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
NR4A1 P22736 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
Trichostatin SCHEMBL19886 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10324242 0.87 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL16380793 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL446806 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL446807 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL675951 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17119540 0.86 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL29450582 0.86 HDAC1 (0.97) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12245785 0.84 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10198759 0.84 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-20070254835-A1 COMPOSITION AND METHOD FOR TREATING NEUROLOGICAL DISORDERS SUPERGEN INC. 2007-11-01 US disclosed