SCHEMBL8430850

SCHEMBL8430850

CCOCn1c(-c2cccc(C)c2)c(C(C)C)c(=O)n([Se])c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.31
TGFBR1 P36897 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL8430679 0.88
SCHEMBL8428734 0.88 ALDH1A1 (0.39) ALDH1A1POLBMAPK1KDM4EMAPT
SCHEMBL8430913 0.87 ALDH1A1 (0.38) ALDH1A1POLBMAPK1MAPTKMT2A
SCHEMBL8426961 0.84 ALDH1A1 (0.39) ALDH1A1POLBMAPK1KDM4EMAPT
SCHEMBL8426903 0.82
SCHEMBL8430943 0.78 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL8427059 0.78 ALDH1A1 (0.36) ALDH1A1POLBMAPK1TGFBR1
SCHEMBL8426833 0.77 ALDH1A1 (0.36) ALDH1A1POLBMAPK1MAPTKMT2A
SCHEMBL10069606 0.75 ALDH1A1 (0.37) ALDH1A1POLBMAPK1MAPTKMT2A
SCHEMBL10069629 0.73 RGS4 (0.35) ALDH1A1POLBMAPK1KDM4EMAPT

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