SCHEMBL2669029

SCHEMBL2669029

CCOP(C)(=O)Cn1ccc(NC(=O)c2cc(OCCOC)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)n1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.81
KCNH2 Q12809 3/20 0.65
CYP2C9 P11712 1/20 0.56

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
SCHEMBL9071288 0.91 GCK (0.79) GCKKCNH2CYP2C9
SCHEMBL9071286 0.91 GCK (0.74) GCKKCNH2CYP2C9
SCHEMBL1134324 0.89 GCK (1.00) GCKKCNH2
SCHEMBL1133774 0.89 GCK (1.00) GCKKCNH2
SCHEMBL1132791 0.89 GCK (1.00) GCKKCNH2
SCHEMBL1107344 0.85 GCK (0.84) GCKKCNH2
SCHEMBL16473165 0.84 GCK (0.59) GCKKCNH2CYP2C9
SCHEMBL1107715 0.82 GCK (0.66) GCKKCNH2
SCHEMBL1107643 0.82 GCK (0.66) GCKKCNH2
SCHEMBL1133395 0.82 GCK (1.00) GCKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed