SCHEMBL8551027

SCHEMBL8551027

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.53
EDNRA P25101 8/20 0.52
CSF1R P07333 4/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PLK1 P53350 2/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38

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
SCHEMBL8550887 0.93 EDNRB (0.58) EDNRBEDNRA
SCHEMBL8551476 0.92 EDNRB (0.48) EDNRBEDNRACSF1RPLK1
SCHEMBL8552955 0.91 EDNRB (0.52) EDNRBEDNRACSF1RCTSLPLK1
SCHEMBL8550953 0.90 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8553797 0.90 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8551432 0.90 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8551023 0.89 EDNRB (0.67) EDNRBEDNRACSF1RPLK1
SCHEMBL8550898 0.89 EDNRB (0.47) EDNRBEDNRACTSLCTSBPLK1
SCHEMBL8549015 0.88 EDNRB (0.50) EDNRBEDNRACSF1RPLK1
SCHEMBL8548858 0.88 EDNRB (0.45) EDNRBEDNRACSF1RPLK1

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