SCHEMBL8551430

SCHEMBL8551430

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3ccc(OCc4ccccc4)cc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.80
EDNRA P25101 10/20 0.65
PLA2G2A P14555 2/20 0.45
SERPINE1 P05121 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL8553793 0.93 EDNRB (0.70) EDNRBEDNRAPLA2G2APPARG
SCHEMBL8550228 0.91 EDNRB (0.85) EDNRBEDNRAPLA2G2ASERPINE1
SCHEMBL6322213 0.91 EDNRB (0.87) EDNRBEDNRA
SCHEMBL8551023 0.90 EDNRB (0.67) EDNRBEDNRA
SCHEMBL6314805 0.89 EDNRB (1.00) EDNRBEDNRAPLA2G2A
SCHEMBL8551432 0.89 EDNRB (0.64) EDNRBEDNRAPLA2G2APPARGPPARD
SCHEMBL8551759 0.87 EDNRB (0.62) EDNRBEDNRA
SCHEMBL8551276 0.87 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8550267 0.86 EDNRB (0.77) EDNRBEDNRASERPINE1
SCHEMBL6314803 0.86 EDNRB (0.80) 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