SCHEMBL8091942

SCHEMBL8091942

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)OC)[C@H]2c1ccc2c(c1)OCO2

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.86
EDNRB P24530 13/20 0.86

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
SCHEMBL8621713 1.00 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8008619 1.00 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8624521 0.96 EDNRA (0.80) EDNRAEDNRB
Enrasentan SCHEMBL1031130 0.93 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL7636324 0.93 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL29356829 0.93 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.93 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL8206689 0.93 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7945618 0.92 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7538507 0.92 EDNRA (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162932-A Stereoselective synthesis of endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-19 US disclosed
US-6080862-A PREPARING (1S, 2R, 3S)-3-(2-HYDROXYETH-1-YLOXY)-4-METHOXYPHENYL) 1-(3,4-METHYLENEDIOXYPHENYL) 5-(PROP-1-YLOXY)INDANE-2-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 2000-06-27 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed