SCHEMBL8546992

SCHEMBL8546992

CCCOc1ccc2c(-c3ccc(OC)cc3)c(OC(=O)O)n(Cc3ccc4nsnc4c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.69
EDNRA P25101 6/20 0.54
PLA2G2A P14555 2/20 0.38
PTGS2 P35354 1/20 0.36
PPARG P37231 1/20 0.36
S1PR3 Q99500 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6661772 0.93 EDNRB (0.79) EDNRBEDNRAPLA2G2APTGS2PPARG
SCHEMBL8548530 0.92 EDNRB (0.57) EDNRBEDNRAPLA2G2AGAAMEN1
SCHEMBL8550953 0.90 EDNRB (0.64) EDNRBEDNRAPLA2G2APTGS2PPARG
SCHEMBL8553797 0.89 EDNRB (0.55) EDNRBEDNRAPLA2G2APPARG
SCHEMBL8547093 0.88 EDNRB (0.53) EDNRBEDNRAPLA2G2APPARGS1PR3
SCHEMBL8546989 0.88 EDNRB (0.87) EDNRBEDNRAMAPT
SCHEMBL8592785 0.87 EDNRB (0.69) EDNRBEDNRAPLA2G2AGAAKDM4E
SCHEMBL6660199 0.87 EDNRB (0.69) EDNRBEDNRAGAAMEN1MAPT
SCHEMBL8551602 0.86 EDNRB (0.69) EDNRBEDNRAPLA2G2AMEN1MAPT
SCHEMBL8550887 0.85 EDNRB (0.58) EDNRBEDNRAGAAMEN1NPC1

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