SCHEMBL8575979

SCHEMBL8575979

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

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.87
EDNRA P25101 7/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8576085 0.93 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8578545 0.92 EDNRB (0.75) EDNRBEDNRAMEN1KMT2A
SCHEMBL8798300 0.90 EDNRB (0.71) EDNRBEDNRAMEN1KMT2A
SCHEMBL8577097 0.88 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8575962 0.88 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8799772 0.88 EDNRB (0.68) EDNRBEDNRAMEN1KMT2A
SCHEMBL8577096 0.85 EDNRB (0.85) EDNRBEDNRAMEN1KMT2A
SCHEMBL8798950 0.83 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8578916 0.81 EDNRB (0.72) EDNRBEDNRAKMT2A
SCHEMBL8799108 0.81 EDNRB (0.77) EDNRBEDNRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
CN-1155539-A Endothelin receptor antagonists MERCK PATENT GMBH (DE) 1997-07-30 CN disclosed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP disclosed