SCHEMBL2657040

SCHEMBL2657040

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
XDH P47989 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 2/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL15516856 0.82 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL2657064 0.81 LMNA (0.51) LMNAMRGPRX4HPGD
SCHEMBL20944347 0.80 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL30744997 0.80 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2657413 0.79 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL2657720 0.78 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL55814 0.74 CA1 (0.73) CA1CA2CA12CA7CA9
SCHEMBL2657866 0.74 SMN1; SMN2 (0.34) GAA
SCHEMBL709293 0.72 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL46504 0.72 CA12 (0.91) CA1CA2CA12CA7CA9

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