SCHEMBL8798300

SCHEMBL8798300

COc1ccc2c(c1OC)c(-c1ccc3c(c1)OCO3)c(OC(=O)O)c(=O)n2Cc1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.71
EDNRA P25101 8/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCC1 P33527 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8798950 0.93 EDNRB (0.81) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL8799772 0.93 EDNRB (0.68) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8575979 0.90 EDNRB (0.87) EDNRBEDNRAMEN1KMT2A
SCHEMBL8798655 0.88 EDNRB (0.67) EDNRBEDNRAKMT2AKDM4EALDH1A1
SCHEMBL8578545 0.88 EDNRB (0.75) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL8799607 0.87 EDNRB (0.64) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL8799108 0.86 EDNRB (0.77) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8576085 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8798255 0.81 EDNRB (0.79) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL8577096 0.81 EDNRB (0.85) EDNRBEDNRAMEN1KMT2AKDM4E

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