SCHEMBL13477802

SCHEMBL13477802

CCC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.56
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.41
KCNH2 Q12809 2/20 0.39

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
SCHEMBL2897166 0.87 GCK (0.57) GCKKMT2AKCNH2
SCHEMBL1865137 0.86 GCK (0.58) GCKKMT2AEPHX1KCNH2
SCHEMBL1865136 0.86 GCK (0.58) GCKKMT2AEPHX1KCNH2
SCHEMBL1107388 0.86 GCK (0.58) GCKKMT2AEPHX1KCNH2
SCHEMBL2650823 0.85 GCK (0.57) GCKKMT2AEPHX1KCNH2
SCHEMBL2667236 0.85 GCK (0.57) GCKKMT2AEPHX1KCNH2
SCHEMBL2646180 0.85 GCK (0.57) GCKKMT2AEPHX1KCNH2
SCHEMBL2646260 0.85 GCK (0.57) GCKKMT2AEPHX1KCNH2
SCHEMBL1107300 0.84 GCK (0.56) GCKKMT2AEPHX1KCNH2
SCHEMBL2648154 0.83 GCK (0.53) GCKKMT2AEPHX1KCNH2

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
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed