SCHEMBL8798255

SCHEMBL8798255

COc1ccccc1Cn1c(=O)c(OC(=O)O)c(-c2ccc3c(c2)OCO3)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.79
EDNRA P25101 9/20 0.52
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8798379 0.89 EDNRB (0.81) EDNRBEDNRAMAPT
SCHEMBL6315635 0.88 EDNRB (1.00) EDNRBEDNRAALDH1A1KDM4E
SCHEMBL8798950 0.88 EDNRB (0.81) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL8798982 0.87 EDNRB (0.78) EDNRBEDNRA
SCHEMBL8798028 0.86 EDNRB (0.74) EDNRBEDNRAMAPT
SCHEMBL6314927 0.86 EDNRB (0.79) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL8580902 0.83 EDNRB (0.75) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL8797682 0.82 EDNRB (0.78) EDNRBEDNRAMAPT
SCHEMBL8798300 0.81 EDNRB (0.71) EDNRBEDNRAALDH1A1KDM4EMAPT
SCHEMBL8799703 0.81 EDNRB (0.66) EDNRBEDNRAALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP claimed