SCHEMBL8626094

SCHEMBL8626094

COc1ccc(C=O)c(OCC(=O)O)c1.COc1ccc(CC2=C(c3ccc4nsnc4c3)C(=O)OC2(O)c2ccc3c(c2)OCCO3)c(OCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.54
EDNRB P24530 18/20 0.54

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
SCHEMBL7842300 0.96 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7842077 0.93 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7842063 0.91 EDNRB (0.57) EDNRAEDNRB
SCHEMBL7840661 0.90 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8620747 0.90 EDNRB (0.57) EDNRAEDNRB
SCHEMBL8619001 0.88 EDNRB (0.55) EDNRAEDNRB
SCHEMBL7844620 0.87 EDNRB (0.62) EDNRAEDNRB
SCHEMBL8703404 0.87 EDNRB (0.56) EDNRAEDNRB
SCHEMBL7840944 0.87 EDNRB (0.67) EDNRAEDNRB
SCHEMBL7831939 0.86 EDNRB (0.61) EDNRAEDNRB

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-0882030-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GmbH (DE) 1998-12-09 EP disclosed
WO-1997030982-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-08-28 WO disclosed