SCHEMBL9401307

SCHEMBL9401307

COc1cc(OC)nc(SC(CO)C2CCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.34
PPARG P37231 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGES O14684 2/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL9401242 0.97 ALOX5 (0.37) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401437 0.96 ALDH1A1 (0.38) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401497 0.94 ALDH1A1 (0.35) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401192 0.84 ALDH1A1 (0.32) ALOX5PPARGALDH1A1PTGES
SCHEMBL9401331 0.81 ALOX5 (0.35) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401355 0.80 ALDH1A1 (0.37) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9408842 0.79 ALDH1A1 (0.40) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401425 0.76 ALOX5 (0.34) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401249 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9401509 0.75 ALOX5 (0.40) ALOX5PPARGALDH1A1PTGESPTGS2

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