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SCHEMBL8551621

SCHEMBL8551621

COc1ccc(OC)c(Cn2c(OC(=O)O)c(-c3ccc4nsnc4c3)c3cc(OC)c(OC(C)C)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 11/20 0.47
▸ EDNRA P25101 5/20 0.47
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL8548217 0.94 EDNRB (0.51) EDNRBEDNRAMAPT
SCHEMBL8549381 0.91 EDNRB (0.43) EDNRBEDNRAMAPTMEN1GAA
SCHEMBL8551619 0.89 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8552838 0.88 EDNRB (0.53) EDNRBEDNRAMAPTMEN1GAA
SCHEMBL8551944 0.87 EDNRB (0.46) EDNRBEDNRA
SCHEMBL8550898 0.87 EDNRB (0.47) EDNRBEDNRA
SCHEMBL8550952 0.87 EDNRB (0.46) EDNRBEDNRA
SCHEMBL8552610 0.85 EDNRB (0.46) EDNRBEDNRAMAPTMEN1GAA
SCHEMBL8551949 0.85 EDNRB (0.54) EDNRBEDNRAMAPTMEN1GAA
SCHEMBL8553066 0.83 EDNRB (0.43) EDNRBEDNRAMAPTMEN1GAA

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