SCHEMBL8548997

SCHEMBL8548997

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC)c(OC)c(OC)c23)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.43
EDNRA P25101 3/20 0.42

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
SCHEMBL8548410 0.95 EDNRB (0.44) EDNRBEDNRA
SCHEMBL8548039 0.94 EDNRB (0.40) EDNRBEDNRA
SCHEMBL8547985 0.93 EDNRB (0.49) EDNRBEDNRA
SCHEMBL8551766 0.92 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8589488 0.91 EDNRB (0.42) EDNRBEDNRA
SCHEMBL8547582 0.89 EDNRB (0.52) EDNRBEDNRA
SCHEMBL8548994 0.88 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8549316 0.88 EDNRB (0.52) EDNRBEDNRA
SCHEMBL8547316 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL8550573 0.86 EDNRB (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed