SCHEMBL8547859

SCHEMBL8547859

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)ccc23)c(OCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.44
PTPN1 P18031 1/20 0.39
EDNRA P25101 3/20 0.38
DYRK1A Q13627 1/20 0.38
FFAR1 O14842 4/20 0.38
PLA2G2A P14555 3/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PPARD Q03181 3/20 0.37
PLA2G10 O15496 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL8547217 0.94 EDNRB (0.46) EDNRBEDNRADYRK1APLA2G2APDCD1
SCHEMBL8551472 0.92 EDNRB (0.43) EDNRBPTPN1EDNRADYRK1AFFAR1
SCHEMBL8548858 0.91 EDNRB (0.45) EDNRBPTPN1EDNRAFFAR1
SCHEMBL8547864 0.88 EDNRB (0.49) EDNRBPTPN1EDNRA
SCHEMBL8553797 0.87 EDNRB (0.55) EDNRBEDNRADYRK1APLA2G2APPARD
SCHEMBL8548607 0.86 EDNRB (0.45) EDNRBEDNRADYRK1APLA2G2APDCD1
SCHEMBL8551476 0.86 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8548697 0.86 EDNRB (0.54) EDNRBPTPN1EDNRA
SCHEMBL8549139 0.85 EDNRB (0.63) EDNRBPTPN1EDNRAFFAR1PLA2G2A
SCHEMBL8551761 0.84 EDNRB (0.49) EDNRBEDNRADYRK1APLA2G2A

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