SCHEMBL7945233

SCHEMBL7945233

CCc1cccc2c1C(c1ccc3c(c1)OCO3)=C(C(=O)O)C2(O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.46
EDNRB P24530 4/20 0.45
SCN9A Q15858 10/20 0.43

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
SCHEMBL8622698 0.94 SCN9A (0.46) EDNRAEDNRBSCN9A
SCHEMBL8623910 0.92 EDNRA (0.43) EDNRAEDNRBSCN9A
SCHEMBL8626017 0.91 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8622873 0.90 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8620434 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7534451 0.82 EDNRA (0.48) EDNRAEDNRBSCN9A
SCHEMBL7538989 0.76 SCN9A (0.47) EDNRAEDNRBSCN9A
SCHEMBL7534309 0.75 EDNRA (0.55) EDNRAEDNRBSCN9A
SCHEMBL7538297 0.74 SCN9A (0.46) EDNRAEDNRBSCN9A
SCHEMBL7945230 0.74 PRKCI (0.48) EDNRAEDNRBSCN9A

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-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
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