SCHEMBL9401543

SCHEMBL9401543

CCCCCC(C)(C)C(CC=O)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.36
PPARG P37231 12/20 0.36
PTGES O14684 10/20 0.36
PSEN1 P49768 2/20 0.34
PTGS2 P35354 1/20 0.34
AR P10275 1/20 0.34
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL9401396 0.84 ALOX5 (0.38) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401536 0.83 ALOX5 (0.37) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401415 0.79 ALOX5 (0.38) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401407 0.77 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401458 0.77 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401320 0.77 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401449 0.77 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401274 0.76 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401243 0.75 ALOX5 (0.39) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401244 0.75 ADORA3 (0.35) ALOX5PPARGPTGESPSEN1PTGS2

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-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed