SCHEMBL9543747

SCHEMBL9543747

CCCOc1cc(C)c2c(c1)C(O)(c1ccc(OC)cc1OCc1ccccc1)C(C(=O)O)=C2c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.48
EDNRB P24530 8/20 0.44

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
SCHEMBL8626957 0.91 EDNRA (0.43) EDNRAEDNRB
SCHEMBL7814457 0.89 EDNRA (0.50) EDNRAEDNRB
SCHEMBL9543742 0.84 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6953835 0.80 EDNRA (0.45) EDNRAEDNRB
SCHEMBL8476509 0.76 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7533979 0.73 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7653814 0.73 EDNRA (0.41) EDNRAEDNRB
SCHEMBL8626955 0.73 CYP3A4 (0.42) EDNRAEDNRB
SCHEMBL7534597 0.73 EDNRA (0.41) EDNRAEDNRB
SCHEMBL8622694 0.73 EDNRA (0.51) 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
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed