SCHEMBL8589486

SCHEMBL8589486

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.53
EDNRA P25101 8/20 0.49
PTPN1 P18031 1/20 0.39
CCR2 P41597 1/20 0.34

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 0.95 EDNRB (0.52) EDNRBEDNRAPTPN1
SCHEMBL8552694 0.94 EDNRB (0.58) EDNRBEDNRAPTPN1
SCHEMBL8546565 0.94 EDNRB (0.49) EDNRBEDNRAPTPN1
SCHEMBL8548994 0.90 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8551764 0.90 EDNRB (0.53) EDNRBEDNRACCR2
SCHEMBL8589488 0.89 EDNRB (0.42) EDNRBEDNRAPTPN1
SCHEMBL8548406 0.87 EDNRB (0.54) EDNRBEDNRA
SCHEMBL8547313 0.86 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8547579 0.86 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8547982 0.85 EDNRB (0.60) 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