SCHEMBL7172102

SCHEMBL7172102

CC(C)(C)[Si](C)(C)OC(CCCC/C=C\C(=O)NO)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.37
HDAC8 Q9BY41 8/20 0.37
HDAC1 Q13547 10/20 0.36
HDAC3 O15379 5/20 0.36
HDAC4 P56524 5/20 0.36
HDAC7 Q8WUI4 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC10 Q969S8 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
HDAC9 Q9UKV0 5/20 0.36
HDAC5 Q9UQL6 5/20 0.36
SOAT1 P35610 1/20 0.35

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
SCHEMBL7178094 0.89 CYP2C9 (0.34)
SCHEMBL7178095 0.89 CYP2C9 (0.34)
SCHEMBL3380328 0.83 HDAC1 (0.40) HDAC6HDAC8HDAC1HDAC3HDAC4
SCHEMBL13783872 0.83 HDAC1 (0.40) HDAC6HDAC8HDAC1HDAC3HDAC4
SCHEMBL7175453 0.82 AOC3 (0.36)
SCHEMBL7176011 0.79 HDAC8 (0.47) HDAC6HDAC8HDAC1HDAC3HDAC4
SCHEMBL13783862 0.72 HDAC1 (0.36) HDAC8HDAC1
SCHEMBL3380886 0.72 HDAC1 (0.36) HDAC8HDAC1
SCHEMBL3379481 0.71 ALOX5 (0.35) HDAC8HDAC1
SCHEMBL13783860 0.71 ALOX5 (0.35) HDAC8HDAC1

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
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 WO disclosed