SCHEMBL8548858

SCHEMBL8548858

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)c(OC)cc23)c(OCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.45
EDNRA P25101 7/20 0.45
PTPN1 P18031 1/20 0.38
CSF1R P07333 3/20 0.37
PLK1 P53350 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL8551476 0.95 EDNRB (0.48) EDNRBEDNRACSF1RPLK1KDM4E
SCHEMBL8547864 0.94 EDNRB (0.49) EDNRBEDNRAPTPN1MAPT
SCHEMBL8549318 0.93 EDNRB (0.43) EDNRBEDNRAPTPN1CSF1RPLK1
SCHEMBL8547859 0.91 EDNRB (0.44) EDNRBEDNRAPTPN1FFAR1
SCHEMBL8548187 0.89 EDNRB (0.46) EDNRBEDNRAPTPN1MAPT
SCHEMBL8551027 0.88 EDNRB (0.53) EDNRBEDNRACSF1RPLK1
SCHEMBL8552566 0.88 EDNRB (0.53) EDNRBEDNRAKDM4EPOLBMAPT
SCHEMBL8547217 0.87 EDNRB (0.46) EDNRBEDNRAKDM4EPOLBMAPT
SCHEMBL8549316 0.86 EDNRB (0.52) EDNRBEDNRAMAPT
SCHEMBL8547930 0.86 EDNRB (0.47) EDNRBEDNRAPTPN1KDM4EMAPT

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