SCHEMBL8551390

SCHEMBL8551390

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC4CCCC4)c(OC)cc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.53
EDNRA P25101 5/20 0.53
FFAR4 Q5NUL3 1/20 0.39
PDE4A P27815 8/20 0.36
PDE4B Q07343 8/20 0.36
PDE4C Q08493 8/20 0.36
PDE4D Q08499 8/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8547974 0.92 EDNRB (0.59) EDNRBEDNRAPDE4B
SCHEMBL8547128 0.92 EDNRB (0.49) EDNRBEDNRAFFAR4PDE4APDE4B
SCHEMBL8552343 0.90 EDNRB (0.51) EDNRBEDNRAPDE4APDE4BPDE4C
SCHEMBL8551387 0.90 EDNRB (0.66) EDNRBEDNRAFFAR4PDE4APDE4B
SCHEMBL8551270 0.87 EDNRB (0.65) EDNRBEDNRAALDH1A1LMNA
SCHEMBL8547924 0.87 EDNRB (0.56) EDNRBEDNRAFFAR4PDE4APDE4B
SCHEMBL8551949 0.87 EDNRB (0.54) EDNRBEDNRALMNA
SCHEMBL8550952 0.85 EDNRB (0.46) EDNRBEDNRAPDE4APDE4BPDE4C
SCHEMBL8552955 0.85 EDNRB (0.52) EDNRBEDNRAALDH1A1LMNA
SCHEMBL8551781 0.85 EDNRB (0.52) 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