SCHEMBL8548885

SCHEMBL8548885

CCCOc1ccc2c(c1)c(-c1cc(OC)c(OC)c(OC)c1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.82
EDNRA P25101 13/20 0.71
ABCB11 O95342 1/20 0.39

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
SCHEMBL8551598 0.93 EDNRB (0.86) EDNRBEDNRA
SCHEMBL6314805 0.90 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8549095 0.90 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8548888 0.89 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8550955 0.88 EDNRB (0.81) EDNRBEDNRA
SCHEMBL6315563 0.88 EDNRB (0.92) EDNRBEDNRA
SCHEMBL8592784 0.87 EDNRB (0.87) EDNRBEDNRA
SCHEMBL8549319 0.86 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8550818 0.85 EDNRB (0.83) EDNRBEDNRA
SCHEMBL8550345 0.85 EDNRB (0.83) 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