SCHEMBL8549014

SCHEMBL8549014

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cccc(OCc4ccccc4)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.61
EDNRA P25101 9/20 0.52
CSF1R P07333 3/20 0.42
PLK1 P53350 1/20 0.40
PPARG P37231 2/20 0.39

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
SCHEMBL8551194 0.92 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8553006 0.91 EDNRB (0.62) EDNRBEDNRA
SCHEMBL8549015 0.89 EDNRB (0.50) EDNRBEDNRACSF1RPLK1
SCHEMBL8551023 0.88 EDNRB (0.67) EDNRBEDNRACSF1RPLK1
SCHEMBL8553492 0.87 EDNRB (0.64) EDNRBEDNRAPPARG
SCHEMBL8551430 0.85 EDNRB (0.80) EDNRBEDNRAPPARG
SCHEMBL8553793 0.85 EDNRB (0.70) EDNRBEDNRAPPARG
SCHEMBL8547579 0.83 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8552685 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8550885 0.81 EDNRB (0.74) EDNRBEDNRA

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