SCHEMBL2669009

SCHEMBL2669009

CCOCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.50
MAPT P10636 2/20 0.45
KCNH2 Q12809 2/20 0.44
MMP14 P50281 1/20 0.44
MMP3 P08254 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1107721 0.90 GCK (0.55) GCKMAPTKCNH2
SCHEMBL2651431 0.90 GCK (0.53) GCKMAPTKCNH2
SCHEMBL9071287 0.88 GCK (0.49) GCKKCNH2MMP14
SCHEMBL1107748 0.85 GCK (0.50) GCKKCNH2
SCHEMBL3603132 0.83 GCK (0.48) GCKKCNH2MMP14MMP3
SCHEMBL1107717 0.81 CYP2C9 (0.49) GCKMAPTRAB9A
SCHEMBL1107725 0.81 GCK (0.46) GCKKCNH2
SCHEMBL1989863 0.80 MAPT (0.54) MAPTRAB9A
SCHEMBL2656511 0.80 HPGD (0.52) GCKRAB9A
SCHEMBL2668959 0.80 RARB (0.54) GCK

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