SCHEMBL7954029

SCHEMBL7954029

COC(=O)C1=C(c2ccc3c(c2)OCO3)c2cc(OCc3ccccc3)ccc2OC1c1ccc2c(c1)OCO2

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.56
EDNRA P25101 1/20 0.56

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
SCHEMBL7957198 0.84 EDNRB (0.75) EDNRBEDNRA
SCHEMBL7951980 0.83 EDNRB (0.55) EDNRBEDNRA
SCHEMBL7943919 0.83
SCHEMBL7944100 0.81 EDNRB (0.65) EDNRBEDNRA
SCHEMBL27934789 0.80
SCHEMBL7531865 0.79 PPARG (0.60) EDNRBEDNRA
SCHEMBL7950870 0.79 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7943804 0.76 EDNRB (0.87) EDNRBEDNRA
SCHEMBL7952916 0.76 MAOB (0.52)
SCHEMBL7534415 0.76 EDNRB (0.54) EDNRBEDNRA

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