SCHEMBL2591615

SCHEMBL2591615

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

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.85

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
Hydrochloric Acid SCHEMBL14657737 0.99 SLC10A2 (0.84) SLC10A2
SCHEMBL2591622 0.92 SLC10A2 (1.00) SLC10A2
Hydrochloric Acid SCHEMBL14657733 0.91 SLC10A2 (0.98) SLC10A2
SCHEMBL14658589 0.88 SLC10A2 (0.84) SLC10A2
SCHEMBL2589854 0.88 SLC10A2 (0.86) SLC10A2
Hydrochloric Acid SCHEMBL2589551 0.85 SLC10A2 (0.84) SLC10A2
SCHEMBL2586634 0.85 SLC10A2 (0.85) SLC10A2
SCHEMBL2579049 0.85 SLC10A2 (0.85) SLC10A2
SCHEMBL2579278 0.84 SLC10A2 (0.84) SLC10A2
Ammonia Solution, Strong SCHEMBL14658981 0.84 SLC10A2 (0.84) 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