SCHEMBL6950692

SCHEMBL6950692

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCC(=O)OCc1ccccc1)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.80
EDNRB P24530 17/20 0.80

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
SCHEMBL7999632 0.93 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6959505 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6960556 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL7667519 0.90 EDNRA (0.88) EDNRAEDNRB
SCHEMBL6960843 0.90 EDNRA (0.87) EDNRAEDNRB
SCHEMBL6960833 0.90 EDNRA (0.87) EDNRAEDNRB
SCHEMBL7538067 0.90 EDNRA (0.64) EDNRAEDNRB
Sb-209670 SCHEMBL1028671 0.89 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL4197810 0.89 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL8734573 0.89 EDNRA (1.00) 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-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP disclosed
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP disclosed
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 US disclosed
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 US disclosed
US-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed