SCHEMBL8907237

SCHEMBL8907237

CCCc1cc(C(=O)O)ccc1CC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.71
EDNRB P24530 10/20 0.71

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
SCHEMBL8907782 0.92 EDNRA (0.63) EDNRAEDNRB
SCHEMBL8906644 0.88 EDNRA (0.57) EDNRAEDNRB
SCHEMBL9272346 0.85 EDNRA (0.60) EDNRAEDNRB
Potassium SCHEMBL9272349 0.85 EDNRA (0.60) EDNRAEDNRB
SCHEMBL8952137 0.83 EDNRA (0.58) EDNRAEDNRB
L-754142 SCHEMBL4193035 0.83 EDNRA (1.00) EDNRAEDNRB
L-754142 SCHEMBL29551244 0.83 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8952066 0.83 EDNRA (0.51) EDNRAEDNRB
L-754142 SCHEMBL7722258 0.83 EDNRA (0.98) EDNRAEDNRB
L-754142 SCHEMBL4202655 0.83 EDNRA (0.98) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 US claimed
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 US disclosed
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 WO disclosed