SCHEMBL4586034

SCHEMBL4586034

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

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.53
EDNRB P24530 8/20 0.53

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
SCHEMBL8622136 0.92 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7665196 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6951608 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8622977 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8684827 0.83 EDNRA (0.60) EDNRAEDNRB
SCHEMBL8621779 0.83 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7531520 0.82 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8624489 0.82 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8624513 0.82 EDNRA (0.60) EDNRAEDNRB
SCHEMBL8627924 0.81 EDNRA (0.59) 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