SCHEMBL8552955

SCHEMBL8552955

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)c(OC)cc23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.52
EDNRA P25101 8/20 0.52
CSF1R P07333 3/20 0.41
ERN1 O75460 1/20 0.41
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK1 P53350 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
SCHEMBL8547974 0.93 EDNRB (0.59) EDNRBEDNRACSF1R
SCHEMBL8551760 0.92 EDNRB (0.49) EDNRBEDNRACSF1RERN1CTSV
SCHEMBL8551281 0.91 EDNRB (0.49) EDNRBEDNRACSF1RERN1
SCHEMBL8551027 0.91 EDNRB (0.53) EDNRBEDNRACSF1RCTSLPLK1
SCHEMBL8552951 0.89 EDNRB (0.66) EDNRBEDNRACSF1RERN1SRD5A1
SCHEMBL8551781 0.89 EDNRB (0.52) EDNRBEDNRA
SCHEMBL8551949 0.88 EDNRB (0.54) EDNRBEDNRAMEN1KMT2ALMNA
SCHEMBL8550833 0.86 EDNRB (0.56) EDNRBEDNRACSF1RERN1MEN1
SCHEMBL8550898 0.86 EDNRB (0.47) EDNRBEDNRACTSLSRD5A1SRD5A2
SCHEMBL8551761 0.86 EDNRB (0.49) EDNRBEDNRACSF1RMAPK1

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