SCHEMBL8626017

SCHEMBL8626017

CCc1cccc2c1C(c1ccc3c(c1)OCO3)=C(C(=O)O)C2(O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.56
EDNRB P24530 17/20 0.56

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
SCHEMBL8622873 0.92 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7945233 0.91 EDNRA (0.46) EDNRAEDNRB
SCHEMBL8623910 0.89 EDNRA (0.43) EDNRAEDNRB
SCHEMBL8620434 0.86 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7538071 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8622698 0.85 SCN9A (0.46) EDNRAEDNRB
SCHEMBL7533979 0.78 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7534309 0.78 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8626015 0.78 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8622694 0.74 EDNRA (0.51) 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-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed