SCHEMBL9987273

SCHEMBL9987273

CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)COC)cc(-c3nccc(=O)[nH]3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.81
KCNH2 Q12809 1/20 0.45

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
SCHEMBL9987276 1.00 GCK (0.81) GCKKCNH2
SCHEMBL9986936 0.91 GCK (0.78) GCKKCNH2
SCHEMBL9986939 0.91 GCK (0.78) GCKKCNH2
SCHEMBL9986940 0.90 GCK (1.00) GCK
SCHEMBL9986943 0.90 GCK (1.00) GCK
SCHEMBL9987201 0.86 GCK (0.79) GCK
SCHEMBL9986922 0.81 GCK (0.84) GCK
SCHEMBL9986933 0.81 GCK (0.84) GCK
SCHEMBL9986341 0.80 GCK (0.82) GCK
SCHEMBL9986339 0.80 GCK (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO claimed
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed