SCHEMBL7843731

SCHEMBL7843731

COc1ccc(C(=O)C(Cc2ccc(OCc3ccccc3)cc2)=C(C(=O)O)c2ccc3nsnc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.58

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
SCHEMBL7841963 1.00 EDNRA (0.58) EDNRA
SCHEMBL7841962 1.00 EDNRA (0.58) EDNRA
SCHEMBL7843728 1.00 EDNRA (0.58) EDNRA
SCHEMBL7843491 0.95 EDNRA (0.51) EDNRA
SCHEMBL7843494 0.95 EDNRA (0.51) EDNRA
SCHEMBL7840643 0.94 EDNRA (0.50) EDNRA
SCHEMBL7840639 0.94 EDNRA (0.50) EDNRA
SCHEMBL7844704 0.94 EDNRA (0.52) EDNRA
SCHEMBL7844707 0.94 EDNRA (0.52) EDNRA
SCHEMBL6315287 0.93 EDNRA (0.65) EDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
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