SCHEMBL7719355

SCHEMBL7719355

CC(C)(C)OC(=O)NC(CCO)C(=O)Nc1cccc2ncc(O[Si](C)(C)C(C)(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC8 Q9BY41 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
EGFR P00533 2/20 0.40
AAK1 Q2M2I8 2/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SCN9A Q15858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
CTSS P25774 2/20 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
SCHEMBL7719351 1.00 HDAC4 (0.46) HDAC4HDAC1HDAC8HDAC3HDAC7
Methane SCHEMBL7718636 0.78 HDAC4 (0.46) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL7718633 0.77 ALDH1A1 (0.47) HDAC4HDAC1HDAC8HDAC3HDAC7
Methane SCHEMBL7721379 0.72 AAK1 (0.41) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL7721375 0.72 KDM4E (0.43) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL15773911 0.69 HSD17B10 (0.46) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL27613652 0.68 HDAC4 (0.61) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL7709234 0.68 TRPV1 (0.44) KDM4E
SCHEMBL7939509 0.68 HDAC4 (0.48) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL7939513 0.68 HDAC4 (0.48) HDAC4HDAC1HDAC8HDAC3HDAC7

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-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed