SCHEMBL8548607

SCHEMBL8548607

CCOC(=O)Oc1c(-c2ccc(OC)cc2OC)c2ccc(OCc3ccccc3)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.45
EDNRA P25101 3/20 0.39
PLA2G2A P14555 4/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
DYRK1A Q13627 1/20 0.38
TP53 P04637 1/20 0.37
PLA2G10 O15496 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8551472 0.94 EDNRB (0.43) EDNRBEDNRAPLA2G2APDCD1CD274
SCHEMBL8547217 0.92 EDNRB (0.46) EDNRBEDNRAPLA2G2APDCD1CD274
SCHEMBL8549318 0.88 EDNRB (0.43) EDNRBEDNRAPDCD1CD274KDM4E
SCHEMBL8551108 0.88 EDNRB (0.50) EDNRBEDNRAPLA2G2ADYRK1ATP53
SCHEMBL8549140 0.88 EDNRB (0.48) EDNRBEDNRAPLA2G2ADYRK1A
SCHEMBL8547859 0.86 EDNRB (0.44) EDNRBEDNRAPLA2G2APDCD1CD274
SCHEMBL8547935 0.86 EDNRB (0.43) EDNRBEDNRAPLA2G2ATP53GAA
SCHEMBL8547214 0.86 EDNRB (0.56) EDNRBEDNRATP53GAAPOLB
SCHEMBL8547424 0.85 EDNRB (0.61) EDNRBEDNRAPLA2G2AGAAKDM4E
SCHEMBL8547930 0.84 EDNRB (0.47) EDNRBEDNRAGAAKDM4EHSD17B10

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