SCHEMBL8031124

SCHEMBL8031124

COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OCc3ccccc3)c(OC)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.85
EDNRB P24530 16/20 0.85

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
SCHEMBL8033478 0.92 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031633 0.92 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8021386 0.91 EDNRA (0.90) EDNRAEDNRB
Pd-155080 SCHEMBL8187314 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031920 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031857 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031543 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8033782 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8038077 0.86 EDNRA (0.87) EDNRAEDNRB
SCHEMBL8035431 0.86 EDNRA (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
US-6017916-A Nonpeptide endothelin antagonists I WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP disclosed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO disclosed