SCHEMBL7951956

SCHEMBL7951956

CCCCOc1ccc2c(c1)C(OC(C)C)=C(C(=O)O)C(C1=COC(Cc3ccccc3)O1)O2

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.43

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
SCHEMBL7943855 0.87
SCHEMBL7952339 0.84 EDNRB (0.43) EDNRB
SCHEMBL7943807 0.82 EDNRB (0.43) EDNRB
SCHEMBL7943811 0.81 EDNRB (0.58) EDNRB
SCHEMBL7943839 0.80
SCHEMBL8309785 0.80
SCHEMBL7950751 0.79 EDNRB (0.43) EDNRB
SCHEMBL7956808 0.78
SCHEMBL7950873 0.77 EDNRB (0.50) EDNRB
SCHEMBL7952065 0.77

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
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed