SCHEMBL8580666

SCHEMBL8580666

COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3cccc(OC)c3OC)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.63
SERPINE1 P05121 2/20 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
SCHEMBL8798232 0.90 EDNRB (0.52) EDNRBSERPINE1
SCHEMBL8578797 0.86 EDNRB (0.67) EDNRB
SCHEMBL8575986 0.83 EDNRB (0.65) EDNRB
SCHEMBL8798447 0.76 EDNRB (0.53) EDNRB
SCHEMBL8804652 0.76 EDNRB (1.00) EDNRB
SCHEMBL8798914 0.74 EDNRB (0.53) EDNRB
SCHEMBL8578669 0.74 EDNRB (1.00) EDNRB
SCHEMBL27482311 0.69 MAPT (0.57) EDNRBSERPINE1
SCHEMBL8553063 0.68 EDNRB (0.54) EDNRB
SCHEMBL795880 0.68 EDNRB (1.00) EDNRB

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-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP disclosed