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Sugi Predict / Compounds / SCHEMBL9401566

SCHEMBL9401566

SCHEMBL9401566

COc1cc(OC)nc(SC(CO)Cc2c(C)cccc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 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
SCHEMBL9401295 0.86 CTSA (0.37) CTSAALDH1A1PTGESALOX5PPARG
SCHEMBL9401349 0.86 KCNJ5 (0.37) ALDH1A1KCNJ5KCNJ3
SCHEMBL9401367 0.81 PTGES (0.43) PTGESALOX5PPARG
SCHEMBL9401526 0.78 ALDH1A1 (0.39) ALDH1A1PTGESALOX5PPARG
SCHEMBL9401344 0.78 CTSA (0.34) CTSAALDH1A1PTGESALOX5PPARG
SCHEMBL9401293 0.77 ALDH1A1 (0.36) ALDH1A1ALOX5PPARG
SCHEMBL9401523 0.77 ALOX5 (0.43) ALOX5
SCHEMBL9401286 0.76 EDNRB (0.36) ALOX5
SCHEMBL9401391 0.75 ADORA3 (0.38) ALDH1A1PTGESALOX5PPARG
SCHEMBL9401363 0.75 ALDH1A1 (0.36) ALDH1A1

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