SCHEMBL8943528

SCHEMBL8943528

CCOC(C)(C)C(Oc1nc(OC)nc(OC)n1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.50
EDNRA P25101 19/20 0.50
NR1I2 O75469 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8943534 0.87 EDNRB (0.41) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL8534495 0.86 EDNRB (0.68) EDNRBEDNRA
SCHEMBL9367576 0.80 EDNRB (0.46) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL8943510 0.80 EDNRB (0.47) EDNRBEDNRAKMT2A
SCHEMBL8943339 0.77 EDNRB (0.35) EDNRBEDNRAPOLB
SCHEMBL9558022 0.73 EDNRB (0.57) EDNRBEDNRA
SCHEMBL9590496 0.72 EDNRB (0.56) EDNRBEDNRA
SCHEMBL9050809 0.71 EDNRB (0.63) EDNRBEDNRA
SCHEMBL9119578 0.70 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL8535045 0.68 EDNRB (0.51) 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
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP claimed
US-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed
US-5387575-A Pyrimidine derivatives, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed