SCHEMBL8798374

SCHEMBL8798374

CCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(OC(=O)O)c(=O)n2Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.64
EDNRA P25101 14/20 0.64
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8798670 0.94 EDNRB (0.63) EDNRBEDNRA
SCHEMBL8798525 0.91 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8798775 0.89 EDNRB (0.60) EDNRBEDNRA
SCHEMBL6321016 0.88 EDNRB (0.77) EDNRBEDNRA
SCHEMBL8798379 0.87 EDNRB (0.81) EDNRBEDNRAMAPT
SCHEMBL8798028 0.86 EDNRB (0.74) EDNRBEDNRAMAPT
SCHEMBL8798982 0.83 EDNRB (0.78) EDNRBEDNRA
SCHEMBL6312676 0.82 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8799703 0.80 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8797682 0.80 EDNRB (0.78) EDNRBEDNRAMAPT

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