SCHEMBL8460752

SCHEMBL8460752

CCCC(C)C(=O)C(CC)C(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
CA2 P00918 3/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.31
CA1 P00915 3/20 0.31
CA7 P43166 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
SCHEMBL8463210 0.86
SCHEMBL8458674 0.85 CA2 (0.37) MAPK1POLBCA2CA1FDPS
SCHEMBL8463312 0.79
SCHEMBL14519713 0.79 CHRM1 (0.39) MAPK1L3MBTL1HSD17B10POLBCA2
SCHEMBL8459359 0.78 CA2 (0.41) MAPK1POLBCA2CA1FDPS
SCHEMBL8462488 0.77 HSD17B10 (0.35) MAPK1L3MBTL1HSD17B10POLBCA2
SCHEMBL8459268 0.77 CHRM1 (0.40) MAPK1CA2CHRM1AKR1A1CHRM3
SCHEMBL8460018 0.76 TSHR (0.35) MAPK1CA2TSHRCA1
SCHEMBL343756 0.73 TSHR (0.50) MAPK1L3MBTL1HSD17B10POLBCHRM1
SCHEMBL8461355 0.73 MMP1 (0.30)

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