SCHEMBL8550573

SCHEMBL8550573

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC)c(OC(C)C)c(OC)c23)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.41
EDNRA P25101 3/20 0.40
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 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
SCHEMBL8551766 0.94 EDNRB (0.43) EDNRBEDNRAPOLBKDM4EPPARG
SCHEMBL8548039 0.93 EDNRB (0.40) EDNRBEDNRAMEN1GAAMAPT
SCHEMBL8547316 0.91 EDNRB (0.44) EDNRBEDNRAPOLBMEN1GAA
SCHEMBL8550571 0.90 EDNRB (0.49) EDNRBEDNRAPOLBMEN1GAA
SCHEMBL8546567 0.90 EDNRB (0.40) EDNRBEDNRAMEN1GAAMAPT
SCHEMBL8551096 0.89 EDNRB (0.50) EDNRBEDNRAPOLBPPARG
SCHEMBL8547527 0.89 EDNRB (0.48) EDNRBEDNRAMEN1GAAMAPT
SCHEMBL8548997 0.86 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8551764 0.84 EDNRB (0.53) EDNRBEDNRAPOLBKDM4E
SCHEMBL8589488 0.84 EDNRB (0.42) EDNRBEDNRAMAPT

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