SCHEMBL4380653

SCHEMBL4380653

CCCC[Si](C)(C)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C[C@@H](C)CO

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TBXAS1 P24557 19/20 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
SCHEMBL4056241 0.87 CA1 (0.39) CA1CA2TBXAS1
SCHEMBL4847585 0.82 CA1 (0.41) CA1CA2TBXAS1
SCHEMBL14314683 0.73 CA1 (0.55) CA1CA2TBXAS1
SCHEMBL4848914 0.73 CA1 (0.44) CA1CA2TBXAS1
SCHEMBL14135218 0.72 CA1 (0.54) CA1CA2TBXAS1
SCHEMBL18843235 0.72 CA1 (0.59) CA1CA2TBXAS1
SCHEMBL13764949 0.72 CA1 (0.59) CA1CA2TBXAS1
SCHEMBL3553296 0.72 CA1 (0.59) CA1CA2TBXAS1
SCHEMBL4845250 0.69 CA1 (0.41) CA1CA2TBXAS1
SCHEMBL13547264 0.67 CA1 (0.60) CA1CA2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765073-A4 ANALOGS OF DICTYOSTATIN, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIV PITTSBURGH (US) 2009-07-15 EP disclosed
EP-1765073-A2 ANALOGS OF DICTYOSTATIN, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2007-03-28 EP disclosed
WO-2005117588-A2 ANALOGS OF DICTYOSTATIN, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2005-12-15 WO disclosed