SCHEMBL8091938

SCHEMBL8091938

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)OC)[C@H](C(=O)OC)[C@H]2c1ccc2c(c1)OCO2

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.77
EDNRB P24530 14/20 0.77

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
SCHEMBL9543346 0.95 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7531940 0.95 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7667519 0.94 EDNRA (0.88) EDNRAEDNRB
SCHEMBL6960833 0.93 EDNRA (0.87) EDNRAEDNRB
SCHEMBL6960843 0.93 EDNRA (0.87) EDNRAEDNRB
SCHEMBL6960837 0.92 EDNRA (0.75) EDNRAEDNRB
SCHEMBL8008619 0.91 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8621713 0.91 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8091942 0.91 EDNRA (0.86) EDNRAEDNRB
SCHEMBL7945618 0.91 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 2 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