SCHEMBL8204582

SCHEMBL8204582

CCCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCC(=O)O)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.94
EDNRB P24530 15/20 0.94

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
Sb-209670 SCHEMBL1028671 0.97 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL8734573 0.97 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL4197810 0.97 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL29550762 0.97 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL7664400 0.96 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL6953911 0.96 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL7532946 0.96 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL6953904 0.96 EDNRA (0.98) EDNRAEDNRB
SCHEMBL8203979 0.92 EDNRA (0.93) EDNRAEDNRB
SCHEMBL13038489 0.92 EDNRA (0.93) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed