SCHEMBL8204573

SCHEMBL8204573

COc1ccc(C2c3cc(O)ccc3C(c3ccc4c(c3)OCO4)C2C(=O)O)c(OCC(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.81
EDNRB P24530 17/20 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
SCHEMBL8202115 0.92 EDNRB (0.83) EDNRAEDNRB
Sb-209670 SCHEMBL4197810 0.90 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL29550762 0.90 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL8734573 0.90 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL1028671 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8204582 0.90 EDNRA (0.94) EDNRAEDNRB
Sb-209670 SCHEMBL6953904 0.89 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL7664400 0.89 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL6953911 0.89 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL7532946 0.89 EDNRA (0.98) 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 2 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
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed