SCHEMBL8552694

SCHEMBL8552694

CCCOc1c(OC)cc2c(c1OC)c(-c1ccc(OC)cc1OCC(=O)O)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.58
EDNRA P25101 9/20 0.49
PTPN1 P18031 1/20 0.36

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
SCHEMBL8549367 0.94 EDNRB (0.52) EDNRBEDNRAPTPN1
SCHEMBL8589486 0.94 EDNRB (0.53) EDNRBEDNRAPTPN1
SCHEMBL8547982 0.92 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8551092 0.91 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8552698 0.90 EDNRB (0.48) EDNRBEDNRAPTPN1
SCHEMBL8546565 0.90 EDNRB (0.49) EDNRBEDNRAPTPN1
SCHEMBL8549171 0.88 EDNRB (0.72) EDNRBEDNRA
SCHEMBL8548406 0.86 EDNRB (0.54) EDNRBEDNRA
SCHEMBL8547313 0.85 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8548994 0.85 EDNRB (0.53) 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