SCHEMBL8622188

SCHEMBL8622188

CCOC(=O)C1C(c2cccc(OC)c2)c2ccccc2C1c1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.63
EDNRA P25101 19/20 0.63
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47

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
SCHEMBL7810966 0.92 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8683767 0.91 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8622189 0.91 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8622982 0.90 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8626049 0.87 EDNRA (0.59) EDNRBEDNRACTNNB1WNT3A
SCHEMBL7533846 0.86 EDNRA (0.83) EDNRBEDNRA
SCHEMBL8624302 0.85 EDNRB (0.58) EDNRBEDNRA
SCHEMBL4586030 0.80 EDNRA (0.70) EDNRBEDNRA
SCHEMBL6452202 0.78 EDNRA (1.00) EDNRBEDNRA
SCHEMBL6452207 0.78 EDNRA (1.00) EDNRBEDNRA

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