SCHEMBL8797682

SCHEMBL8797682

CCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(OC(=O)OC)c(=O)n2Cc1ccccc1OC

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.78
EDNRA P25101 6/20 0.49
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8798379 0.93 EDNRB (0.81) EDNRBEDNRATP53MAPT
SCHEMBL8578004 0.88 EDNRB (0.86) EDNRBEDNRA
SCHEMBL795880 0.87 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8799108 0.83 EDNRB (0.77) EDNRBEDNRATP53MAPT
SCHEMBL8798624 0.83 EDNRB (0.63) EDNRBEDNRAMAPT
SCHEMBL8798255 0.82 EDNRB (0.79) EDNRBEDNRAMAPT
SCHEMBL8798910 0.82 EDNRB (0.73) EDNRBTP53MAPT
SCHEMBL8798670 0.81 EDNRB (0.63) EDNRBEDNRA
SCHEMBL8798547 0.80 EDNRB (0.56) EDNRBEDNRA
SCHEMBL8798525 0.80 EDNRB (0.61) EDNRBEDNRATP53

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
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP disclosed