SCHEMBL8622977

SCHEMBL8622977

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1O)C(C(=O)O)C2(C)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.54
EDNRB P24530 8/20 0.54

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
SCHEMBL6951608 1.00 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7665196 1.00 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7531520 0.92 EDNRA (0.53) EDNRAEDNRB
SCHEMBL4586034 0.90 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8624507 0.89 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7538514 0.89 EDNRA (0.55) EDNRAEDNRB
SCHEMBL6953765 0.89 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8621856 0.89 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8175303 0.88 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7531947 0.86 EDNRA (0.56) 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