SCHEMBL8943379

SCHEMBL8943379

CCCOC(=O)C(Sc1nc(OC)cc(OC)n1)C(C)(C)C#N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
ALOX5 P09917 12/20 0.36
PPARG P37231 11/20 0.36
PTGES O14684 8/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 2/20 0.34
PTGS2 P35354 1/20 0.34

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 0.91 ALDH1A1 (0.38) EDNRBEDNRAALOX5PPARGPTGES
SCHEMBL9148023 0.84 ALDH1A1 (0.32) ALOX5PPARGPTGESALDH1A1
SCHEMBL8943555 0.84 ALDH1A1 (0.33) ADORA3ALDH1A1
SCHEMBL8943529 0.83 EDNRB (0.37) EDNRBEDNRAALOX5PPARGPTGES
Potassium Ion SCHEMBL8943027 0.81 ALDH1A1 (0.34) EDNRBEDNRAADORA3ALDH1A1
SCHEMBL9408743 0.78 ALOX5 (0.42) ALOX5PPARGPTGESADORA3ADORA1
SCHEMBL9408720 0.78 ALOX5 (0.44) ALOX5PPARGPTGESADORA3PSEN1
SCHEMBL9408782 0.76 ALOX5 (0.41) ALOX5PPARGPTGESADORA3ADORA1
SCHEMBL9408921 0.76 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL8537289 0.76 LMNA (0.35) ADORA3ALDH1A1

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