SCHEMBL2589027

SCHEMBL2589027

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

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.88

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
SCHEMBL14670193 0.93 SLC10A2 (1.00) SLC10A2
SCHEMBL2585644 0.93 SLC10A2 (0.83) SLC10A2
SCHEMBL2592600 0.92 SLC10A2 (0.86) SLC10A2
SCHEMBL14659523 0.92 SLC10A2 (1.00) SLC10A2
SCHEMBL14666292 0.91 SLC10A2 (0.90) SLC10A2
SCHEMBL14666336 0.90 SLC10A2 (0.90) SLC10A2
SCHEMBL2586623 0.89 SLC10A2 (0.83) SLC10A2
Trifluoroacetic Acid SCHEMBL2585003 0.89 SLC10A2 (0.91) SLC10A2
SCHEMBL2586760 0.88 SLC10A2 (0.85) SLC10A2
SCHEMBL14666264 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed