SCHEMBL8549370

SCHEMBL8549370

CCOc1c(OC)cc2c(c1OC)c(-c1ccc(OC)cc1OCC(=O)O)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.42
EDNRA P25101 3/20 0.38
PTPN1 P18031 2/20 0.36
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSNK1D P48730 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8589488 0.96 EDNRB (0.42) EDNRBEDNRAPTPN1MAPT
SCHEMBL8552698 0.94 EDNRB (0.48) EDNRBEDNRAPTPN1
SCHEMBL8548410 0.92 EDNRB (0.44) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8546567 0.91 EDNRB (0.40) EDNRBEDNRAPTPN1GAAMEN1
SCHEMBL8547316 0.91 EDNRB (0.44) EDNRBEDNRAKDM4EGAAMEN1
SCHEMBL8549367 0.90 EDNRB (0.52) EDNRBEDNRAPTPN1KDM4EGAA
SCHEMBL8552686 0.88 EDNRB (0.53) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8547864 0.86 EDNRB (0.49) EDNRBEDNRAPTPN1MAPT
SCHEMBL8548997 0.86 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8547985 0.86 EDNRB (0.49) EDNRBEDNRAGAA

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