SCHEMBL6765038

SCHEMBL6765038

Cc1ccc(S(=O)(=O)OS(c2ccccc2)(c2ccccc2)c2ccc(OC(C)(C)C)c(OC(C)(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
VDR P11473 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 3/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ESR1 P03372 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
SCHEMBL6757964 0.85 HTT (0.41) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL8078746 0.85 HTT (0.41) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL65270 0.84 HTT (0.45) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL64770 0.84 HTT (0.45) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2962485 0.82 VDR (0.49) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL3144536 0.82 VDR (0.49) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL64190 0.82 VDR (0.49) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL2964106 0.82 VDR (0.49) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL2955938 0.82 VDR (0.49) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL7112621 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723483-B1 Sulfonium salt compounds WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed