SCHEMBL9051649

SCHEMBL9051649

COc1cc(OC)nc(OC(C(=O)OC(C)(C)C)C(O)(c2ccccc2)C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.61
EDNRA P25101 20/20 0.61

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
SCHEMBL9051708 0.87 EDNRB (0.75) EDNRBEDNRA
SCHEMBL9052287 0.83 EDNRB (0.49) EDNRBEDNRA
SCHEMBL9051789 0.83 EDNRB (0.52) EDNRBEDNRA
SCHEMBL9368252 0.78 EDNRB (0.65) EDNRBEDNRA
SCHEMBL6781616 0.76 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8706498 0.76 EDNRB (0.56) EDNRBEDNRA
SCHEMBL9369015 0.76 EDNRB (0.76) EDNRBEDNRA
SCHEMBL6776490 0.76 EDNRB (0.76) EDNRBEDNRA
SCHEMBL9052058 0.76 EDNRB (0.53) EDNRBEDNRA
SCHEMBL15999837 0.75 EDNRB (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996000219-A1 PYRIMIDINYL- AND TRIAZINYL-OXY AND THIO-3-HALOALKYL-PROPIONIC ACID DERIVATIVES AS HERBICIDES CIBA-GEIGY AG (CH) 1996-01-04 WO disclosed