SCHEMBL7437638

SCHEMBL7437638

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCC(=O)O)C(OC(=O)O)C2c1cc2c(cc1OC)OCO2

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.67
EDNRB P24530 5/20 0.67

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
SCHEMBL7440805 0.90 EDNRA (0.80) EDNRAEDNRB
SCHEMBL6956765 0.90 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7533662 0.90 EDNRA (0.82) EDNRAEDNRB
SCHEMBL8204209 0.87 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7804146 0.83 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6960208 0.83 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7813879 0.83 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7936159 0.82 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7933827 0.81 EDNRA (0.83) EDNRAEDNRB
Sb-209670 SCHEMBL4197810 0.80 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-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP claimed
EP-0634175-B1 Pharmaceutical combination, containing a renin-angiotensin-system inhibitor and an endothelin antagonist HOFFMANN LA ROCHE (CH) 2001-01-10 EP disclosed