SCHEMBL8035530

SCHEMBL8035530

C=CCOc1cc(CC2=C(c3ccc4c(c3)OCO4)C(=O)OC2(O)c2ccc(OC)cc2)cc(OC)c1OC

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.85
EDNRB P24530 11/20 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
Pd-156707 SCHEMBL30708648 0.92 EDNRA (1.00) EDNRAEDNRB
Pd-156707 SCHEMBL4178950 0.92 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8021376 0.92 EDNRA (0.83) EDNRAEDNRB
SCHEMBL8031633 0.89 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8031720 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8031190 0.88 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7956457 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8037823 0.87 EDNRA (0.89) EDNRAEDNRB
SCHEMBL8033658 0.87 EDNRA (0.87) EDNRAEDNRB
SCHEMBL7955161 0.87 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
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US claimed
US-6017916-A Nonpeptide endothelin antagonists I WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US disclosed