SCHEMBL7804146

SCHEMBL7804146

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCCC(=O)O)C(OC(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.71
EDNRB P24530 8/20 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
SCHEMBL7813879 0.94 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6960208 0.94 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7440805 0.93 EDNRA (0.80) EDNRAEDNRB
SCHEMBL6956765 0.93 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7811358 0.90 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7532680 0.89 EDNRA (0.86) EDNRAEDNRB
SCHEMBL7638872 0.85 EDNRA (0.85) EDNRAEDNRB
SCHEMBL13038489 0.84 EDNRA (0.93) EDNRAEDNRB
SCHEMBL8203979 0.84 EDNRA (0.93) EDNRAEDNRB
SCHEMBL7810975 0.84 EDNRA (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP claimed