SCHEMBL9401196

SCHEMBL9401196

COc1cc(OC)nc(SC(CO)CCC(Cl)CCl)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 2/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL9401275 0.86 ALDH1A1 (0.35) ALDH1A1ALOX5PPARG
SCHEMBL9401194 0.83 ALOX5 (0.40) ALDH1A1ALOX5PPARG
SCHEMBL9401391 0.81 ADORA3 (0.38) ALDH1A1ALOX5PPARG
SCHEMBL9401209 0.80 ALDH1A1 (0.35) ALDH1A1ALOX5PPARG
SCHEMBL9401526 0.79 ALDH1A1 (0.39) ALDH1A1ALOX5PPARG
SCHEMBL9401547 0.79 ALOX5 (0.44) ALOX5PPARG
SCHEMBL9401619 0.78 ALOX5 (0.41) ALOX5PPARG
SCHEMBL9401413 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9401232 0.77 ALOX5 (0.43) ALOX5PPARG
SCHEMBL9401336 0.77 ALOX5 (0.43) 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 1 patent. 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