SCHEMBL5526409

SCHEMBL5526409

CC(F)(F)C(=O)OCC(=O)CC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.34
EPHX2 P34913 3/20 0.34
ATM Q13315 1/20 0.34
SCN9A Q15858 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL685875 0.89 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL5521880 0.88 SCN9A (0.36) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL685182 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL5557931 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL5521718 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL685881 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL13556148 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL685878 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL12978168 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL685892 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1LMNA

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-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed