SCHEMBL2582096

SCHEMBL2582096

CCCC[C@]1(CC)CS(O)(O)c2cc(CCCNCCS(=O)(=O)OC(=O)C(F)(F)F)c(OC)cc2[C@@H](c2ccccc2)N1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.69

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
SCHEMBL2589848 0.91 SLC10A2 (0.66) SLC10A2
SCHEMBL14659114 0.88 SLC10A2 (0.86) SLC10A2
SCHEMBL2589309 0.88 SLC10A2 (0.65) SLC10A2
SCHEMBL14658794 0.87 SLC10A2 (0.69) SLC10A2
SCHEMBL2589707 0.84 SLC10A2 (0.68) SLC10A2
Trifluoroacetic Acid SCHEMBL2582092 0.84 SLC10A2 (0.91) SLC10A2
SCHEMBL2589289 0.84 SLC10A2 (0.63) SLC10A2
SCHEMBL2591698 0.83 SLC10A2 (0.70) SLC10A2
SCHEMBL2589608 0.82 SLC10A2 (0.68) SLC10A2
SCHEMBL2595117 0.82 SLC10A2 (0.85) SLC10A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed