SCHEMBL7941871

SCHEMBL7941871

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)C[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC4 P56524 2/20 0.35
ITGB3 P05106 10/20 0.34
ITGA2B P08514 10/20 0.34
CTSL P07711 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL6124828 1.00 HDAC1 (0.35) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL13071444 0.90 ITGB3 (0.37) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL15501094 0.90 HDAC1 (0.34) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL8203250 0.88 F2 (0.41) HDAC1HDAC4ITGB3ITGA2BCTSL
SCHEMBL14216849 0.88 HDAC1 (0.32) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL13071545 0.87 HDAC1 (0.39) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL10166392 0.86 HDAC1 (0.35) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL6124800 0.86 HDAC1 (0.36) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL8274191 0.85 HDAC1 (0.35) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL6124752 0.85 HDAC1 (0.36) HDAC1HDAC8HDAC4ITGB3ITGA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed
WO-2010015545-A1 PROCESS FOR THE PREPARATION OF A MACROCYCLE F. HOFFMANN-LA ROCHE AG (CH) 2010-02-11 WO disclosed
WO-2009124853-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-15 WO disclosed
WO-2009080542-A1 PROCESS FOR THE PREPARATION OF A MACROCYCLE F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed