SCHEMBL14216849

SCHEMBL14216849

CCOC(=O)[C@H]1C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ITGB3 P05106 6/20 0.32
ITGA2B P08514 6/20 0.32

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
SCHEMBL13923990 0.90 HDAC1 (0.33) HDAC1HDAC4HDAC8ITGB3ITGA2B
SCHEMBL6124828 0.88 HDAC1 (0.35) HDAC1HDAC4HDAC8ITGB3ITGA2B
SCHEMBL7941871 0.88 HDAC1 (0.35) HDAC1HDAC4HDAC8ITGB3ITGA2B
SCHEMBL8195602 0.84 ITGB3 (0.37) HDAC1HDAC4HDAC8ITGB3ITGA2B
SCHEMBL8203250 0.84 F2 (0.41) HDAC1HDAC4ITGB3ITGA2B
SCHEMBL8172094 0.80 ELANE (0.32) ITGB3ITGA2B
SCHEMBL6124822 0.79 F2 (0.33) ITGB3ITGA2B
SCHEMBL15580101 0.79 ITGB3 (0.33) HDAC1HDAC4HDAC8ITGB3ITGA2B
SCHEMBL15501094 0.78 HDAC1 (0.34) HDAC1HDAC4HDAC8ITGB3ITGA2B
SCHEMBL13071444 0.78 ITGB3 (0.37) HDAC1HDAC4HDAC8ITGB3ITGA2B

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-2008057873-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed