SCHEMBL8943555

SCHEMBL8943555

COc1cc(OC)nc(SC(C(=O)OCOC(=O)C(C)(C)C)C(C)(C)C#N)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL8943573 0.86 ALDH1A1 (0.38) ALDH1A1ADORA3
SCHEMBL9148023 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8943379 0.84 EDNRB (0.36) ALDH1A1ADORA3
SCHEMBL8943529 0.81 EDNRB (0.37) ALDH1A1
SCHEMBL8943549 0.78 EDNRB (0.35)
SCHEMBL8537289 0.74 LMNA (0.35) ALDH1A1ADORA3
SCHEMBL9408657 0.72 ALDH1A1 (0.36) ALDH1A1ADORA3
SCHEMBL8943560 0.71 ALDH1A1 (0.41) ALDH1A1ADORA3
SCHEMBL8943363 0.70 ALDH1A1 (0.40) ALDH1A1ADORA3
SCHEMBL9082340 0.69 ADORA3 (0.40) ALDH1A1ADORA3

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