SCHEMBL8549381

SCHEMBL8549381

CCOC(=O)Oc1c(-c2ccc3nsnc3c2)c2cc(OC)c(OC(C)C)cc2n1Cc1cc(OC)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.43
EDNRA P25101 3/20 0.43
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8552610 0.95 EDNRB (0.46) EDNRBEDNRAGAAMEN1KMT2A
SCHEMBL8552763 0.91 EDNRB (0.47) EDNRBEDNRAGAAMEN1KMT2A
SCHEMBL8551621 0.91 EDNRB (0.47) EDNRBEDNRAGAAMEN1KMT2A
SCHEMBL8551818 0.88 EDNRB (0.41) EDNRBEDNRAMAPTMAPK1KDM4E
SCHEMBL8547955 0.87 EDNRB (0.43) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL8548293 0.87 EDNRB (0.45) EDNRBEDNRAGAAMEN1KMT2A
SCHEMBL8549019 0.85 EDNRB (0.49) EDNRBEDNRAGAAMEN1KMT2A
SCHEMBL8550986 0.85 EDNRB (0.51) EDNRBEDNRAGAAMEN1KMT2A
SCHEMBL8548217 0.85 EDNRB (0.51) EDNRBEDNRAMAPTKDM4EALDH1A1
SCHEMBL8552500 0.85 EDNRB (0.57) EDNRBEDNRAGAAMEN1KMT2A

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