SCHEMBL9544682

SCHEMBL9544682

CCCOc1ccc2c(c1C)C(c1ccc(OC)cc1OCc1ccccc1)=C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.47
EDNRB P24530 7/20 0.47

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
SCHEMBL7657917 0.93 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7653068 0.88 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7653881 0.84 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7651495 0.83 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7651503 0.83 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7659658 0.79 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7659653 0.79 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7534415 0.75 EDNRB (0.54) EDNRAEDNRB
SCHEMBL7999632 0.73 EDNRA (0.81) EDNRAEDNRB
SCHEMBL8624509 0.73 EDNRA (0.44) 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