SCHEMBL8798982

SCHEMBL8798982

COc1ccc(Cn2c(=O)c(OC(=O)O)c(-c3ccc4c(c3)OCO4)c3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.78
EDNRA P25101 11/20 0.60
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL8798028 0.91 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8798670 0.89 EDNRB (0.63) EDNRBEDNRA
SCHEMBL6314775 0.88 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8798255 0.87 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8900846 0.85 EDNRA (0.81) EDNRBEDNRA
SCHEMBL8798525 0.83 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8798374 0.83 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8799703 0.82 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8798379 0.80 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8901534 0.80 EDNRB (0.69) 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
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP claimed