Sugi Predict

Sugi Predict / Compounds / SCHEMBL9401344

SCHEMBL9401344

SCHEMBL9401344

COc1cc(OC)nc(SC(C=O)Cc2c(C)cccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 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
SCHEMBL9401540 0.86 PTGES (0.33) PTGESALOX5PPARG
SCHEMBL9401493 0.86 CTSA (0.36) CTSAALDH1A1PTGESALOX5PPARG
SCHEMBL9401516 0.86 NPSR1 (0.36) ALDH1A1
SCHEMBL9384583 0.82 PTGES (0.42) PTGESALOX5PPARG
SCHEMBL9401303 0.79 CTSA (0.34) CTSAALDH1A1
SCHEMBL9401566 0.78 CTSA (0.35) CTSAALDH1A1PTGESALOX5PPARG
SCHEMBL9401327 0.78 ALOX5 (0.43) ALOX5
SCHEMBL9383531 0.78 ALDH1A1 (0.37) ALDH1A1PTGESALOX5PPARG
SCHEMBL9401522 0.77 EDNRB (0.36) ALOX5EDNRBEDNRA
SCHEMBL9388882 0.75 ADORA3 (0.37) ALDH1A1PTGESALOX5PPARG

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