SCHEMBL6233293

SCHEMBL6233293

CC(C)(C)OC(=O)c1c(O)c(O)cc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 2/20 0.37
SERPINE1 P05121 2/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
XDH P47989 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FUT7 Q11130 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 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
SCHEMBL31354768 0.88 CYP2C9 (0.35) CA1CA2CA4SERPINE1POLB
SCHEMBL17746618 0.87 EGFR (0.36) CA1CA2SERPINE1POLBKDM4E
SCHEMBL17337327 0.85 CA1 (0.34) CA1CA2CA4SERPINE1CYP2C9
SCHEMBL23201007 0.85 AAK1 (0.36) CA1CA2CA4SERPINE1TDP1
SCHEMBL679953 0.80 CA1 (0.41) CA1CA2CA4CYP2C9CYP2C19
SCHEMBL17746619 0.80 EGFR (0.36) CA1CA2SERPINE1POLBKDM4E
SCHEMBL6232092 0.79 CA12 (0.36) CA1CA2SERPINE1POLBCA12
SCHEMBL17337403 0.79 CES2 (0.37) CA1CA2POLBCYP2C9CYP2C19
SCHEMBL25304437 0.77 CYP2C9 (0.37) CA1CA2GAACYP2C9CYP2C19
SCHEMBL29202783 0.77 CES2 (0.41) CA1CA2KDM4EGAACYP2C9

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