SCHEMBL8551432

SCHEMBL8551432

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.64
EDNRA P25101 8/20 0.51
PLA2G2A P14555 4/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALOX5AP P20292 1/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL8553797 0.94 EDNRB (0.55) EDNRBEDNRAPLA2G2APPARGPPARD
SCHEMBL8550230 0.92 EDNRB (0.66) EDNRBEDNRAPLA2G2APLA2G1B
SCHEMBL6660199 0.91 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8551027 0.90 EDNRB (0.53) EDNRBEDNRA
SCHEMBL6661772 0.89 EDNRB (0.79) EDNRBEDNRAPLA2G2APPARG
SCHEMBL8551430 0.89 EDNRB (0.80) EDNRBEDNRAPLA2G2APPARGPPARD
SCHEMBL8551761 0.88 EDNRB (0.49) EDNRBEDNRAPLA2G2A
SCHEMBL8551281 0.87 EDNRB (0.49) EDNRBEDNRAPPARDALOX5AP
SCHEMBL8550269 0.87 EDNRB (0.60) EDNRBEDNRAPLA2G2A
SCHEMBL8620818 0.86 EDNRB (0.46) EDNRBEDNRAPLA2G2A

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