SCHEMBL6960208

SCHEMBL6960208

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](OC(=O)O)[C@H]2c1ccc2c(c1)OCO2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.81
EDNRB P24530 9/20 0.81

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 1.00 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7804146 0.94 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6956765 0.93 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7440805 0.93 EDNRA (0.80) EDNRAEDNRB
Enrasentan SCHEMBL8206689 0.89 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL29356829 0.89 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1031130 0.89 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL7636324 0.89 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7531407 0.88 EDNRA (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP claimed
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP claimed