SCHEMBL8080433

SCHEMBL8080433

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1O)[C@H](C(=O)OC)C2c1ccc2c(c1)OCO2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.72
EDNRB P24530 15/20 0.72

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
SCHEMBL8622974 1.00 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6951607 1.00 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7665191 1.00 EDNRA (0.72) EDNRAEDNRB
SCHEMBL4586030 0.93 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8091934 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL4585578 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6956238 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL7531517 0.92 EDNRA (0.70) EDNRAEDNRB
Potassium SCHEMBL6960118 0.91 EDNRA (0.83) EDNRAEDNRB
Potassium Ion SCHEMBL6960114 0.91 EDNRA (0.71) EDNRAEDNRB

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
US-6162932-A Stereoselective synthesis of endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-19 US disclosed