SCHEMBL4586030

SCHEMBL4586030

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1O)[C@@H](C(=O)OCC)[C@H]2c1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.70
EDNRB P24530 13/20 0.70

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
SCHEMBL6951607 0.93 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8622974 0.93 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8080433 0.93 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7665191 0.93 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8622134 0.91 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8091934 0.91 EDNRA (0.85) EDNRAEDNRB
SCHEMBL4585578 0.91 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6956238 0.91 EDNRA (0.85) EDNRAEDNRB
SCHEMBL7531980 0.90 EDNRA (0.63) EDNRAEDNRB
Potassium SCHEMBL6960118 0.90 EDNRA (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915699-A4 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-06-25 EP disclosed
EP-0915699-A1 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP disclosed
WO-1997017071-A1 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed