SCHEMBL8459303

SCHEMBL8459303

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
KISS1R Q969F8 4/20 0.35
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
MME P08473 1/20 0.31
MMP8 P22894 1/20 0.31
ANPEP P15144 2/20 0.30
LAP3 P28838 2/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL8463220 0.87 RNPEP (0.40) ALDH1A1TDP1RNPEPSLC7A5CACNA2D1
SCHEMBL450897 0.84 ALDH1A1 (0.43) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL180035 0.79 RNPEP (0.50) ALDH1A1TDP1RNPEPSLC7A5CACNA2D1
SCHEMBL14540527 0.77 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL8459992 0.75 MMP1 (0.33) RNPEPSLC7A5
SCHEMBL11059850 0.73 CA2 (0.37) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL8461255 0.71 KISS1R (0.37) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL4135108 0.71 MME (0.51) ALDH1A1KISS1RMME
SCHEMBL6421233 0.70 RNPEP (0.40) ALDH1A1TDP1RNPEPSLC7A5CACNA2D1
SCHEMBL6426533 0.70 RNPEP (0.40) ALDH1A1TDP1RNPEPSLC7A5CACNA2D1

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