SCHEMBL8035313

SCHEMBL8035313

COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)ccc2OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 1.00
EDNRB P24530 17/20 1.00

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
SCHEMBL8035297 0.93 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8035631 0.93 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8031901 0.93 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8022444 0.90 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7211339 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8033478 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8033782 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031316 0.88 EDNRA (0.80) EDNRAEDNRB
SCHEMBL8035157 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031920 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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