SCHEMBL8550951

SCHEMBL8550951

CCCOc1cc2c(cc1OC)c(-c1ccc(OC)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.81
EDNRA P25101 15/20 0.66
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL8550885 0.93 EDNRB (0.74) EDNRBEDNRATP53
SCHEMBL8551023 0.90 EDNRB (0.67) EDNRBEDNRATP53
SCHEMBL6314805 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8546989 0.89 EDNRB (0.87) EDNRBEDNRATP53POLB
SCHEMBL8550953 0.89 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8552837 0.88 EDNRB (0.67) EDNRBEDNRATP53POLB
SCHEMBL8551598 0.87 EDNRB (0.86) EDNRBEDNRA
SCHEMBL8549171 0.86 EDNRB (0.72) EDNRBEDNRA
SCHEMBL8551777 0.86 EDNRB (0.65) EDNRBEDNRA
SCHEMBL6315563 0.85 EDNRB (0.92) EDNRBEDNRATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed