SCHEMBL9588704

SCHEMBL9588704

COc1cc(OC)nc(SC(C(=O)O)C(C)(C)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.41
EDNRA P25101 7/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8098308 0.83 EDNRB (0.50) EDNRBEDNRA
SCHEMBL9050654 0.83 EDNRB (0.39) EDNRBEDNRAKDM4E
SCHEMBL8943018 0.83 LMNA (0.33) EDNRBEDNRAKDM4E
SCHEMBL9051577 0.83 EDNRB (0.40) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL9051600 0.82 EDNRB (0.40) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL9052951 0.82 EDNRB (0.39) EDNRBEDNRAKDM4E
SCHEMBL8943529 0.82 EDNRB (0.37) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL8538415 0.80 LMNA (0.37) KDM4EALDH1A1
SCHEMBL8534480 0.79 CYP24A1 (0.33) EDNRBEDNRAALDH1A1
SCHEMBL9208674 0.78 CYP1A2 (0.33) EDNRBEDNRAKDM4EALDH1A1

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-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