SCHEMBL8551023

SCHEMBL8551023

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)c(OC)cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.67
EDNRA P25101 13/20 0.65
CSF1R P07333 1/20 0.43
TP53 P04637 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL8550885 0.93 EDNRB (0.74) EDNRBEDNRATP53
SCHEMBL8551475 0.91 EDNRB (0.58) EDNRBEDNRACSF1RTP53PLK1
SCHEMBL8552951 0.91 EDNRB (0.66) EDNRBEDNRACSF1R
SCHEMBL8550951 0.90 EDNRB (0.81) EDNRBEDNRATP53
SCHEMBL8551430 0.90 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8553793 0.90 EDNRB (0.70) EDNRBEDNRATP53
SCHEMBL8551027 0.89 EDNRB (0.53) EDNRBEDNRACSF1RPLK1
SCHEMBL8550894 0.88 EDNRB (0.59) EDNRBEDNRATP53
SCHEMBL8549014 0.88 EDNRB (0.61) EDNRBEDNRACSF1RPLK1
SCHEMBL8552837 0.87 EDNRB (0.67) EDNRBEDNRATP53

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