SCHEMBL8549367

SCHEMBL8549367

CCOc1c(OC)cc2c(c1OC)c(-c1ccc(OC)cc1OCC(=O)O)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.52
EDNRA P25101 6/20 0.47
PTPN1 P18031 1/20 0.37
TP53 P04637 3/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8589486 0.95 EDNRB (0.53) EDNRBEDNRAPTPN1
SCHEMBL8552694 0.94 EDNRB (0.58) EDNRBEDNRAPTPN1
SCHEMBL8548406 0.92 EDNRB (0.54) EDNRBEDNRATP53MAPTGAA
SCHEMBL8546565 0.91 EDNRB (0.49) EDNRBEDNRAPTPN1MAPTGAA
SCHEMBL8547313 0.91 EDNRB (0.53) EDNRBEDNRATP53MAPTGAA
SCHEMBL8549370 0.90 EDNRB (0.42) EDNRBEDNRAPTPN1MAPTGAA
SCHEMBL8552685 0.88 EDNRB (0.64) EDNRBEDNRATP53MAPT
SCHEMBL8548994 0.86 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8547982 0.86 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8551764 0.85 EDNRB (0.53) EDNRBEDNRATP53KDM4EPOLB

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