SCHEMBL8460995

SCHEMBL8460995

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ECE1 P42892 1/20 0.31
CA1 P00915 2/20 0.31
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL5793444 0.84 TSHR (0.41) TSHRCA1FOLH1NAALAD2
SCHEMBL270073 0.84 TSHR (0.41) TSHRCA1FOLH1NAALAD2
SCHEMBL28700075 0.83 SMN1; SMN2 (0.33) CA1
SCHEMBL8458239 0.81 CHRM1 (0.39) TSHRCA1
SCHEMBL8459086 0.80 TSHR (0.39) TSHRECE1CA1
Alcohol SCHEMBL8390981 0.79 TSHR (0.38) TSHRCA1FOLH1NAALAD2MMP1
SCHEMBL888827 0.79
SCHEMBL269836 0.79
SCHEMBL12388848 0.79
SCHEMBL105681 0.78 TSHR (0.38) TSHR

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