SCHEMBL8427059

SCHEMBL8427059

Cc1cccc(-c2c(C(C)C)c(=O)n([Se])c(=S)n2COCCO)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
DPP4 P27487 1/20 0.32
HTT P42858 1/20 0.32
TGFBR1 P36897 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL8428734 0.90 ALDH1A1 (0.39) ALDH1A1POLBMAPK1DPP4HTT
SCHEMBL8430829 0.89 HTT (0.34) HTT
SCHEMBL8430464 0.84 ALDH1A1 (0.36) ALDH1A1DPP4HTTTGFBR1TRPV1
SCHEMBL8430883 0.78 HTT (0.35) HTT
SCHEMBL8430850 0.78 ALDH1A1 (0.38) ALDH1A1POLBMAPK1TGFBR1
SCHEMBL8426870 0.77
SCHEMBL8429057 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8427063 0.76 MEN1 (0.34) ALDH1A1POLBMAPK1DPP4HTT
SCHEMBL8430913 0.74 ALDH1A1 (0.38) ALDH1A1POLBMAPK1HTT
SCHEMBL8430920 0.73 ALDH1A1 (0.35) ALDH1A1POLBMAPK1HTTTGFBR1

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-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US disclosed