SCHEMBL12742575

SCHEMBL12742575

COc1ccc(COC[C@H](C)Oc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(C)=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.50
KCNH2 Q12809 3/20 0.50

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
SCHEMBL9071277 0.92 GCK (0.56) GCKKCNH2
SCHEMBL2664229 0.91 GCK (0.50) GCKKCNH2
SCHEMBL1140843 0.85 GCK (0.64) GCKKCNH2
SCHEMBL3598462 0.84 GCK (0.55) GCKKCNH2
SCHEMBL2664227 0.83 GCK (0.53) GCKKCNH2
SCHEMBL9892945 0.81 GCK (0.63) GCKKCNH2
SCHEMBL1107532 0.81 GCK (0.52) GCKKCNH2
SCHEMBL9987461 0.80 GCK (0.47) GCKKCNH2
SCHEMBL9987460 0.80 GCK (0.47) GCKKCNH2
SCHEMBL12594254 0.79 MAPT (0.47) 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
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed