SCHEMBL8458674

SCHEMBL8458674

CCCCC(C(=O)C(C)CCC)C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 6/20 0.36
FDPS P14324 1/20 0.34
POLB P06746 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CTSK P43235 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
SLC15A1 P46059 1/20 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
SCHEMBL8459359 0.89 CA2 (0.41) CA2MAPK1CA1FDPSPOLB
SCHEMBL8461349 0.85 CA2 (0.39) CA2MAPK1CA1POLBCTSK
SCHEMBL8460752 0.85 MAPK1 (0.33) CA2MAPK1CA1FDPSPOLB
SCHEMBL8463182 0.82 CA2 (0.46) CA2MAPK1CA1FDPSPOLB
SCHEMBL23151970 0.79 CA2 (0.54) CA2MAPK1CA1ACE2SLC1A3
SCHEMBL14519745 0.77 CA1 (0.48) CA2MAPK1CA1FDPSACE2
SCHEMBL18597118 0.76 CA1 (0.58) CA2MAPK1CA1FDPSACE2
SCHEMBL14519713 0.76 CHRM1 (0.39) CA2MAPK1CA1FDPSPOLB
SCHEMBL8461448 0.75 CA2 (0.37) CA2MAPK1CA1POLBCTSK
SCHEMBL8462687 0.75 CA2 (0.48) CA2FDPSACE2

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