SCHEMBL9401253

SCHEMBL9401253

COc1cc(OC)nc(SC(C=O)CCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
PTGES O14684 8/20 0.46
PPARG P37231 8/20 0.46
PSEN1 P49768 1/20 0.45
G6PD P11413 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL9384583 0.87 PTGES (0.42) ALOX5PTGESPPARGPSEN1HTT
SCHEMBL9401365 0.82 ALDH1A1 (0.35) ALOX5PTGESPPARGPSEN1
SCHEMBL9401348 0.80 ALDH1A1 (0.35) ALOX5PTGESPPARGPSEN1
SCHEMBL9401358 0.80 ALOX5 (0.39) ALOX5PPARG
SCHEMBL9401267 0.79 ALOX5 (0.43) ALOX5PTGESPPARGPSEN1
SCHEMBL9401493 0.79 CTSA (0.36) ALOX5PTGESPPARG
SCHEMBL9401305 0.79 PTGES (0.38) ALOX5PTGESPPARG
SCHEMBL9401225 0.78 ALOX5 (0.45) ALOX5PTGESPPARGPSEN1
SCHEMBL9401399 0.78 ALOX5 (0.46) ALOX5PTGESPPARGPSEN1HTT
SCHEMBL9383531 0.78 ALDH1A1 (0.37) ALOX5PTGESPPARGPSEN1

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