SCHEMBL8551761

SCHEMBL8551761

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)ccc23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.49
EDNRA P25101 6/20 0.48
PLA2G2A P14555 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CSF1R P07333 2/20 0.39
DYRK1A Q13627 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8551281 0.93 EDNRB (0.49) EDNRBEDNRACSF1RDYRK1ATSHR
SCHEMBL8551615 0.92 EDNRB (0.45) EDNRBEDNRAPLA2G2ADYRK1A
SCHEMBL8553797 0.92 EDNRB (0.55) EDNRBEDNRAPLA2G2ADYRK1A
SCHEMBL8551759 0.89 EDNRB (0.62) EDNRBEDNRA
SCHEMBL8547217 0.89 EDNRB (0.46) EDNRBEDNRAPLA2G2AMAPTDYRK1A
SCHEMBL8620818 0.88 EDNRB (0.46) EDNRBEDNRAPLA2G2ADYRK1ATSHR
SCHEMBL8551432 0.88 EDNRB (0.64) EDNRBEDNRAPLA2G2A
SCHEMBL8551027 0.87 EDNRB (0.53) EDNRBEDNRACSF1R
SCHEMBL8617491 0.86 EDNRB (0.45) EDNRBEDNRAPLA2G2AMAPTDYRK1A
SCHEMBL8549140 0.86 EDNRB (0.48) EDNRBEDNRAPLA2G2ADYRK1ATSHR

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