SCHEMBL8622873

SCHEMBL8622873

CCc1cccc2c1C(c1ccc3c(c1)OCO3)=C(C(=O)O)C2(O)c1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.53
EDNRB P24530 12/20 0.53
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL8626017 0.92 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7945233 0.90 EDNRA (0.46) EDNRAEDNRB
SCHEMBL7534309 0.86 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8620434 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8623910 0.84 EDNRA (0.43) EDNRAEDNRB
SCHEMBL8622698 0.84 SCN9A (0.46) EDNRAEDNRB
SCHEMBL8622871 0.79 EDNRA (0.51) EDNRAEDNRBCTNNB1WNT3A
SCHEMBL7538071 0.77 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8621791 0.73 EDNRA (0.46) EDNRAEDNRB
SCHEMBL7534451 0.72 EDNRA (0.48) 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