SCHEMBL8900846

SCHEMBL8900846

COc1ccc(Cn2c(C(=O)O)c(-c3ccc4c(c3)OCO4)c3ccccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.81
EDNRB P24530 15/20 0.81

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
SCHEMBL8902335 0.94 EDNRB (0.80) EDNRAEDNRB
SCHEMBL8901534 0.89 EDNRB (0.69) EDNRAEDNRB
SCHEMBL6314775 0.88 EDNRB (1.00) EDNRAEDNRB
SCHEMBL8856691 0.86 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8798982 0.85 EDNRB (0.78) EDNRAEDNRB
SCHEMBL8900589 0.84 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8900951 0.84 EDNRB (0.64) EDNRAEDNRB
SCHEMBL9289776 0.83 EDNRA (0.63) EDNRAEDNRB
SCHEMBL8643680 0.83 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6322272 0.82 EDNRB (0.64) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP claimed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP claimed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
US-5686481-A INDOLE DERIVATIVES; TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP disclosed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed