SCHEMBL8622698

SCHEMBL8622698

CCc1cccc2c1C(c1ccccc1)=C(C(=O)O)C2(O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.46
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.40

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
SCHEMBL7945233 0.94 EDNRA (0.46) SCN9AEDNRAEDNRB
SCHEMBL8623910 0.86 EDNRA (0.43) SCN9AEDNRAEDNRB
SCHEMBL8626017 0.85 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8622873 0.84 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7538989 0.83 SCN9A (0.47) SCN9AEDNRAEDNRB
SCHEMBL8620434 0.82 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7534451 0.78 EDNRA (0.48) SCN9AEDNRAEDNRB
SCHEMBL8622696 0.76 SCN9A (0.44) SCN9AEDNRA
SCHEMBL7534309 0.71 EDNRA (0.55) SCN9AEDNRAEDNRB
SCHEMBL7538297 0.70 SCN9A (0.46) SCN9AEDNRAEDNRB

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