SCHEMBL7952111

SCHEMBL7952111

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2cc(OC(C)C)ccc2OC1c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.58
EDNRA P25101 1/20 0.58

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
SCHEMBL7954672 0.88
SCHEMBL7943919 0.87
SCHEMBL7956806 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8309784 0.81 EDNRB (0.66) EDNRBEDNRA
SCHEMBL7943851 0.80 EDNRB (0.76) EDNRBEDNRA
SCHEMBL7957198 0.79 EDNRB (0.75) EDNRBEDNRA
SCHEMBL7950518 0.79 EDNRB (0.63) EDNRB
SCHEMBL7950870 0.78 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7956965 0.78 EDNRB (0.78) EDNRBEDNRA
SCHEMBL7952114 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 3 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
CN-1234029-A Chromene-3-carboxylate derivative SHIONOGI & CO (JP) 1999-11-03 CN disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed