SCHEMBL8459359

SCHEMBL8459359

CCCCC(C(=O)C(C)CC)C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 6/20 0.40
FDPS P14324 1/20 0.34
POLB P06746 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL8458674 0.89 CA2 (0.37) CA2MAPK1CA1FDPSPOLB
SCHEMBL8461349 0.85 CA2 (0.39) CA2MAPK1CA1POLB
SCHEMBL8463210 0.83
SCHEMBL8463182 0.82 CA2 (0.46) CA2MAPK1CA1FDPSPOLB
SCHEMBL28022755 0.81 CA2 (0.52) CA2MAPK1CA1POLBACE2
SCHEMBL23151970 0.79 CA2 (0.54) CA2MAPK1CA1ACE2
SCHEMBL8460752 0.78 MAPK1 (0.33) CA2MAPK1CA1FDPSPOLB
SCHEMBL8461355 0.78 MMP1 (0.30)
SCHEMBL14519745 0.77 CA1 (0.48) CA2MAPK1CA1FDPSACE2
SCHEMBL8461448 0.75 CA2 (0.37) CA2MAPK1CA1POLB

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-0646605-B1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-06-02 EP disclosed
US-5468704-A Comprising titanium halide or halogen alcoholate supported on magnesium halide and a diketone electron donor; preparing polypropylene of high isotacticity MONTELL NORTH AMERICA INC. (US) 1995-11-21 US disclosed
EP-0646605-A1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1995-04-05 EP disclosed