SCHEMBL8463182

SCHEMBL8463182

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 5/20 0.45
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
FDPS P14324 1/20 0.38
POLB P06746 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 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
SCHEMBL8462687 0.91 CA2 (0.48) CA2FDPSGPR84FFAR1
SCHEMBL23151970 0.91 CA2 (0.54) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8461349 0.86 CA2 (0.39) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8459268 0.85 CHRM1 (0.40) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL2318483 0.84 CA2 (0.43) CA2MAPK1CA1
SCHEMBL28023367 0.83 GPR84 (0.53) CA2MAPK1SLC1A2SLC1A1GPR84
SCHEMBL28022722 0.83 GPR84 (0.53) CA2MAPK1SLC1A2SLC1A1GPR84
SCHEMBL8461448 0.82 CA2 (0.37) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8458674 0.82 CA2 (0.37) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8459359 0.82 CA2 (0.41) CA2MAPK1CA1FDPSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138743-C 1, 3-diketone compound ض� 2004-02-18 CN disclosed
CN-1054139-C Catalyst component for the polymerization of olefins and catalyst obtained MONTELL NORTH AMERICAN INC (US) 2000-07-05 CN disclosed
CN-1257061-A 1, 3-diketone compound MONTELL NORTH AMERICAN INC (US) 2000-06-21 CN disclosed
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
CN-1105671-A Components and catalysts for olefin polymerization HIMONT INC (US) 1995-07-26 CN disclosed
EP-0646605-A1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1995-04-05 EP disclosed