SCHEMBL6232092

SCHEMBL6232092

CC(C)(C)OC(=O)c1c(F)ccc(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
GRM6 O15303 1/20 0.35
EGFR P00533 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
RXRA P19793 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MIF P14174 1/20 0.34
SERPINE1 P05121 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL15867204 0.83 CA12 (0.35) CA12CA1CA2CA9CA14
SCHEMBL17337403 0.83 CES2 (0.37) CA12CA1CA2CA9CA14
SCHEMBL17336997 0.82 HSD17B1 (0.38) CA12CA1CA2CA9CA14
SCHEMBL2223667 0.81 EGFR (0.42) CA12CA1CA2CA9CA14
SCHEMBL4497012 0.80 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL29202783 0.80 CES2 (0.41) CA12CA1CA2CA9CA14
SCHEMBL6233293 0.79 CA1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL17374999 0.79 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL6234124 0.79 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL6230445 0.79 DPP4 (0.40) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed