SCHEMBL8551478

SCHEMBL8551478

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.48
EDNRA P25101 4/20 0.47
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8547873 0.94 EDNRB (0.46) EDNRBEDNRAKDM4EHSD17B10
SCHEMBL8550986 0.88 EDNRB (0.51) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8549255 0.85 EDNRB (0.47) EDNRBEDNRAMAPTALDH1A1HPGD
SCHEMBL8548507 0.85 EDNRB (0.54) EDNRBEDNRAGAALMNASMN1; SMN2
SCHEMBL8553159 0.85 EDNRB (0.54) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8552763 0.83 EDNRB (0.47) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8551981 0.83 EDNRB (0.42) EDNRBEDNRAMAPTMAPK1TDP1
SCHEMBL8550887 0.83 EDNRB (0.58) EDNRBEDNRAKDM4EGAAMAPT
SCHEMBL8547652 0.83 EDNRB (0.64) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8547597 0.82 EDNRB (0.47) EDNRBEDNRAKDM4EHSD17B10SMN1; SMN2

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