SCHEMBL6960799

SCHEMBL6960799

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCOC)[C@@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.85
EDNRB P24530 19/20 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
SCHEMBL8194392 1.00 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6950331 1.00 EDNRA (0.85) EDNRAEDNRB
SCHEMBL8203979 0.95 EDNRA (0.93) EDNRAEDNRB
SCHEMBL13038489 0.95 EDNRA (0.93) EDNRAEDNRB
SCHEMBL7538123 0.93 EDNRA (0.88) EDNRAEDNRB
SCHEMBL8621854 0.93 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7538507 0.93 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7945618 0.93 EDNRA (0.73) EDNRAEDNRB
Sb-209670 SCHEMBL8734573 0.92 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.92 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 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 disclosed
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP disclosed