SCHEMBL9401367

SCHEMBL9401367

COc1cc(OC)nc(SC(CO)Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.43
ALOX5 P09917 7/20 0.43
PPARG P37231 6/20 0.43
PSEN1 P49768 1/20 0.40
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL9401523 0.88 ALOX5 (0.43) ALOX5
SCHEMBL9401399 0.86 ALOX5 (0.46) PTGESALOX5PPARGPSEN1HTT
SCHEMBL9401286 0.86 EDNRB (0.36) ALOX5
SCHEMBL9401551 0.84 COPS5 (0.35) PTGESALOX5PPARG
SCHEMBL9401295 0.83 CTSA (0.37) PTGESALOX5PPARG
SCHEMBL9401566 0.81 CTSA (0.35) PTGESALOX5PPARG
SCHEMBL9401287 0.81 TRPA1 (0.45) PTGESALOX5PPARGTRPA1
SCHEMBL9401526 0.81 ALDH1A1 (0.39) PTGESALOX5PPARG
SCHEMBL9401349 0.80 KCNJ5 (0.37)
SCHEMBL9401293 0.80 ALDH1A1 (0.36) ALOX5PPARG

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