SCHEMBL7874061

SCHEMBL7874061

CC(C)(C)OC(=O)CCS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 8/20 0.54
MMP1 P03956 1/20 0.51
MEN1 O00255 4/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
HSD11B1 P28845 1/20 0.49
THRB P10828 1/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7017241 0.85 KMT2A (0.54) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL7870908 0.83 ALDH1A1 (0.62) ALDH1A1GAAKMT2AMMP1MEN1
SCHEMBL7019141 0.80 MMP1 (0.46) ALDH1A1GAAKMT2AMMP1MEN1
SCHEMBL7870795 0.80 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMMP1MEN1
SCHEMBL7866998 0.79 LMNA (0.48) ALDH1A1GAAKMT2AMMP1MEN1
SCHEMBL7868885 0.79 KMT2A (0.57) ALDH1A1GAAKMT2ALMNA
SCHEMBL7868841 0.79 ALDH1A1 (0.58) ALDH1A1GAAKMT2AMMP1MEN1
SCHEMBL3483003 0.78 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL7869912 0.77 HTT (0.57) ALDH1A1GAAKMT2AMMP1MEN1
SCHEMBL7869987 0.76 LMNA (0.57) ALDH1A1KMT2AMMP1LMNANPSR1

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
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed