SCHEMBL8464103

SCHEMBL8464103

CCOc1c(S(C)(=O)=O)ccc(C(=O)Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.37
ALDH1A1 P00352 6/20 0.35
HTT P42858 4/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
ACLY P53396 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
XBP1 P17861 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL29002973 0.87 L3MBTL1 (0.32) ALDH1A1L3MBTL1
SCHEMBL8465883 0.87 IKBKB (0.39) IKBKBALDH1A1HTTMEN1KMT2A
SCHEMBL8488369 0.85 ALDH1A1 (0.44) IKBKBALDH1A1HTTMAPK1MAPT
SCHEMBL1036538 0.85 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL8678853 0.83 SMN1; SMN2 (0.35) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL9650963 0.78 CA12 (0.41) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL8465758 0.78 KMT2A (0.34) IKBKBALDH1A1HTTMEN1KMT2A
SCHEMBL9761613 0.77 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL29009549 0.77 NPSR1 (0.33) ALDH1A1NPSR1
SCHEMBL8770613 0.77 IKBKB (0.37) IKBKBALDH1A1HTTMAPK1MAPT

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
WO-1999021842-A1 HERBICIDAL 4-BENZOYLISOXAZOLES DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 WO disclosed
US-5863865-A APPLYING PLANT GROWTH REGULATOR TO AN AREA WHERE SUCH CONTROL IS DESIRED ZENECA LIMITED (GB) 1999-01-26 US disclosed