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SCHEMBL8549175

SCHEMBL8549175

CCCOc1c(OC)cc2c(c1OC)c(-c1ccc(OC)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 7/20 0.59
▸ EDNRA P25101 4/20 0.46
▸ PPARG P37231 1/20 0.34
▸ MGAM O43451 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SI P14410 2/20 0.34
▸ MGAM2 Q2M2H8 2/20 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
SCHEMBL8552686 0.94 EDNRB (0.53) EDNRBEDNRAGAA
SCHEMBL8547582 0.93 EDNRB (0.52) EDNRBEDNRAGAA
SCHEMBL8547985 0.90 EDNRB (0.49) EDNRBEDNRAMGAMGAASI
SCHEMBL8549171 0.89 EDNRB (0.72) EDNRBEDNRAPPARG
SCHEMBL8551096 0.89 EDNRB (0.50) EDNRBEDNRAPPARG
SCHEMBL8547527 0.88 EDNRB (0.48) EDNRBEDNRAGAA
SCHEMBL8552698 0.88 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8550953 0.87 EDNRB (0.64) EDNRBEDNRAPPARG
SCHEMBL8551196 0.85 EDNRB (0.52) EDNRBEDNRAGAA
SCHEMBL6661772 0.84 EDNRB (0.79) EDNRBEDNRAPPARG

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