SCHEMBL2662589

SCHEMBL2662589

COC(=O)c1cc(O)cc(OC(C)COC(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1041848 1.00 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL12570195 0.88 MTNR1A (0.40) CA1CA2KDM4EGAAGCK
SCHEMBL2088534 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL320646 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1426494 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL30744997 0.83 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL20944347 0.83 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2666575 0.83 PLA2G2A (0.43) GCKRARG
SCHEMBL1042110 0.82 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL12774009 0.82 CA12 (0.56) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078000-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2009-07-15 EP disclosed
WO-2008050117-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2008-05-02 WO disclosed