SCHEMBL8798447

SCHEMBL8798447

COc1ccc(-c2c(OC(=O)O)c(=O)n(Cc3cccc(OC)c3OC)c3ccc(N)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.53
MIF P14174 2/20 0.40
CD74 P04233 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL8578797 0.90 EDNRB (0.67) EDNRB
SCHEMBL8798914 0.87 EDNRB (0.53) EDNRBLMNAMAPT
SCHEMBL8798232 0.87 EDNRB (0.52) EDNRB
SCHEMBL8575986 0.78 EDNRB (0.65) EDNRB
SCHEMBL8798383 0.77 EDNRB (0.77) EDNRBMAPT
SCHEMBL8580666 0.76 EDNRB (0.63) EDNRB
SCHEMBL8798379 0.72 EDNRB (0.81) EDNRBMAPT
SCHEMBL8798255 0.71 EDNRB (0.79) EDNRBMAPT
SCHEMBL8798910 0.70 EDNRB (0.73) EDNRBMAPT
SCHEMBL8798982 0.69 EDNRB (0.78) EDNRB

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 disclosed