SCHEMBL2583824

SCHEMBL2583824

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

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.75

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
Trifluoroacetic Acid SCHEMBL2586249 0.90 SLC10A2 (0.72) SLC10A2
Trifluoroacetic Acid SCHEMBL2589590 0.90 SLC10A2 (0.72) SLC10A2
Ammonia Solution, Strong SCHEMBL2590801 0.87 SLC10A2 (0.71) SLC10A2
SCHEMBL2591793 0.87 SLC10A2 (0.88) SLC10A2
SCHEMBL2591887 0.87 SLC10A2 (0.88) SLC10A2
SCHEMBL2589838 0.87 SLC10A2 (0.74) SLC10A2
SCHEMBL16743424 0.86 SLC10A2 (1.00) SLC10A2
SCHEMBL14666315 0.86 SLC10A2 (1.00) SLC10A2
SCHEMBL2589244 0.85 SLC10A2 (0.88) SLC10A2
SCHEMBL14666267 0.85 SLC10A2 (1.00) 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