SCHEMBL8943339

SCHEMBL8943339

CCOC(C)(C)C(Sc1nc(OC)nc(OC)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CTSK P43235 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8943018 0.85 LMNA (0.33) EDNRBEDNRAPOLB
SCHEMBL8943528 0.77 EDNRB (0.50) EDNRBEDNRAPOLB
SCHEMBL9367575 0.73 EDNRB (0.40) EDNRBEDNRAPOLB
SCHEMBL9054345 0.70 EDNRB (0.42) EDNRBEDNRAALDH1A1
SCHEMBL8943534 0.70 EDNRB (0.41) EDNRBEDNRAPOLBALDH1A1CTSK
SCHEMBL9588704 0.70 EDNRB (0.41) EDNRBEDNRAALDH1A1
SCHEMBL8943510 0.64 EDNRB (0.47) EDNRBEDNRAALDH1A1
SCHEMBL8534495 0.64 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8098308 0.63 EDNRB (0.50) EDNRBEDNRA
SCHEMBL9051577 0.62 EDNRB (0.40) EDNRBEDNRAALDH1A1

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-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