SCHEMBL9401458

SCHEMBL9401458

CCCCCCCC(CC=O)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.43
PPARG P37231 13/20 0.43
PTGES O14684 12/20 0.43
PSEN1 P49768 2/20 0.38
PTGS2 P35354 1/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL9401407 1.00 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401320 1.00 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401449 1.00 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401274 0.95 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9403904 0.84 ALOX5 (0.39) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401405 0.84 ALOX5 (0.39) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401317 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401232 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401711 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401336 0.83 ALOX5 (0.43) 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