SCHEMBL8548406

SCHEMBL8548406

CCOc1c(OC)cc2c(c1OC)c(-c1ccc(OC)cc1O)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.54
EDNRA P25101 6/20 0.49
TP53 P04637 3/20 0.36
ABCB11 O95342 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8548994 0.94 EDNRB (0.53) EDNRBEDNRAABCB11
SCHEMBL8547982 0.94 EDNRB (0.60) EDNRBEDNRAABCB11
SCHEMBL8547313 0.93 EDNRB (0.53) EDNRBEDNRATP53MAPTPOLB
SCHEMBL8549367 0.92 EDNRB (0.52) EDNRBEDNRATP53MAPTPOLB
SCHEMBL8548034 0.90 EDNRB (0.49) EDNRBEDNRAABCB11MAPTGAA
SCHEMBL8552685 0.90 EDNRB (0.64) EDNRBEDNRATP53MAPT
SCHEMBL8548410 0.89 EDNRB (0.44) EDNRBEDNRAMAPTGAA
SCHEMBL8551764 0.87 EDNRB (0.53) EDNRBEDNRATP53POLB
SCHEMBL8551092 0.87 EDNRB (0.59) EDNRBEDNRAPOLB
SCHEMBL8589486 0.87 EDNRB (0.53) EDNRBEDNRA

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