SCHEMBL8042973

SCHEMBL8042973

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c3ncccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.66
EDNRA P25101 17/20 0.66

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
SCHEMBL8029697 0.90 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8902335 0.85 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8039429 0.83 EDNRA (0.55) EDNRBEDNRA
SCHEMBL8041521 0.82 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8900846 0.80 EDNRA (0.81) EDNRBEDNRA
SCHEMBL6322272 0.79 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8900951 0.75 EDNRB (0.64) EDNRBEDNRA
SCHEMBL6322279 0.75 EDNRB (0.62) EDNRBEDNRA
SCHEMBL4712914 0.72 MAPK8 (0.70) EDNRBEDNRA
SCHEMBL8547246 0.72 EDNRA (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6075037-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-06-13 US disclosed