SCHEMBL13893243

SCHEMBL13893243

Cc1ccc(S(=O)(=O)OCC(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.41
STAT3 P40763 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
VDR P11473 1/20 0.38
TLR9 Q9NR96 1/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL779594 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL2513029 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL15281738 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL10569502 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL14388828 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL2057211 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL10573105 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL10568278 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL3448735 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAASTAT3
SCHEMBL10575244 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GAASTAT3

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-7521425-B2 Anti-angiogenic compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2009-04-21 US disclosed