SCHEMBL3456992

SCHEMBL3456992

COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(-c2ccc(C3=N[C@H](C(=O)O)CO3)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.41
KCNH2 Q12809 4/20 0.37
RARG P13631 1/20 0.34

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
SCHEMBL423926 0.93 GCK (0.44) GCKKCNH2
SCHEMBL423254 0.92 GCK (0.41) GCKKCNH2
SCHEMBL422623 0.90 GCK (0.41) GCKKCNH2
SCHEMBL13127997 0.90 GCK (0.41) GCKKCNH2
SCHEMBL424788 0.90 GCK (0.41) GCKKCNH2
SCHEMBL424978 0.89 GCK (0.40) GCKKCNH2
SCHEMBL424379 0.88 GCK (0.39) GCKKCNH2
SCHEMBL423046 0.85 GCK (0.42) GCKKCNH2
SCHEMBL423927 0.83 GCK (0.41) GCKKCNH2RARG
SCHEMBL425663 0.83 GCK (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed