SCHEMBL9558022

SCHEMBL9558022

CCOC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(C)OCC

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.57
EDNRA P25101 20/20 0.57

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
SCHEMBL8534495 0.88 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8943534 0.86 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9590496 0.86 EDNRB (0.56) EDNRBEDNRA
SCHEMBL8535045 0.81 EDNRB (0.51) EDNRBEDNRA
SCHEMBL9368252 0.80 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8535492 0.78 EDNRB (0.48) EDNRBEDNRA
SCHEMBL15999837 0.77 EDNRB (0.76) EDNRBEDNRA
SCHEMBL9050809 0.76 EDNRB (0.63) EDNRBEDNRA
SCHEMBL7811183 0.75 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8943510 0.74 EDNRB (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5125058-A None JP disclosed
JP-H05125058-A 3-ALKOXYALKANOIC ACID COMPOUND, ITS INTERMEDIATE AND PRODUCTION THEREOF, AND HERBICIDE UBE IND LTD 1993-05-21 JP disclosed
US-5178663-A Pyrimidinyloxy or pyrimidinylthio compounds UBE INDUSTRIES, LTD. (JP) 1993-01-12 US disclosed
EP-0481512-A1 3-Alkoxyalkanoic acid derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-04-22 EP disclosed