SCHEMBL6955353

SCHEMBL6955353

CCCOc1ccc2c(c1)C(=O)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.64
EDNRB P24530 6/20 0.64

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
SCHEMBL7658046 0.90 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7658049 0.90 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7567310 0.85 MAOB (0.55) EDNRAEDNRB
SCHEMBL7533871 0.79 MAOB (0.51) EDNRAEDNRB
SCHEMBL8204578 0.78 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7534548 0.77 EDNRA (0.79) EDNRAEDNRB
SCHEMBL8204688 0.77 EDNRA (0.79) EDNRAEDNRB
SCHEMBL8207340 0.77 EDNRA (0.45) EDNRAEDNRB
SCHEMBL7945194 0.77 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7660780 0.76 EDNRA (0.53) 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 10 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
US-6355813-B1 INTERMEDIATES USEFUL IN PREPARING THESE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-03-12 US disclosed
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP disclosed
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP disclosed
EP-1019397-A4 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2001-01-17 EP disclosed
US-6143907-A 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-11-07 US disclosed
EP-1019397-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-19 EP 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-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
WO-1997017341-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed