SCHEMBL8547873

SCHEMBL8547873

CCOC(=O)Oc1[nH]c2cc(OCc3ccccc3)c(OC)cc2c1-c1ccc(OC)cc1.CCOC(=O)Oc1c(-c2ccc(OC)cc2)c2cc(OC)c(OCc3ccccc3)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.46
EDNRA P25101 7/20 0.44
CTSL P07711 3/20 0.36
CTSV O60911 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CSF1R P07333 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CTSB P07858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TSHR P16473 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
SCHEMBL8551478 0.94 EDNRB (0.48) EDNRBEDNRAKDM4EHSD17B10
SCHEMBL8549255 0.90 EDNRB (0.47) EDNRBEDNRATSHR
SCHEMBL8551981 0.88 EDNRB (0.42) EDNRBEDNRAPDE4APDE4BPDE4C
SCHEMBL8551760 0.87 EDNRB (0.49) EDNRBEDNRACTSLCTSVCSF1R
SCHEMBL8551027 0.86 EDNRB (0.53) EDNRBEDNRACTSLCSF1RCTSB
SCHEMBL8549201 0.85 EDNRB (0.40) EDNRBEDNRAKDM4EPDE4APDE4B
SCHEMBL8548409 0.85 EDNRB (0.41) EDNRBEDNRAKDM4EHSD17B10
SCHEMBL8619717 0.84 EDNRB (0.40) EDNRBEDNRAKDM4EHSD17B10
SCHEMBL8549318 0.83 EDNRB (0.43) EDNRBEDNRAKDM4ECSF1R
SCHEMBL8550986 0.82 EDNRB (0.51) EDNRBEDNRAKDM4EHSD17B10

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