SCHEMBL7869912

SCHEMBL7869912

COc1ccc(C#Cc2ccc(S(=O)(=O)CCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MMP1 P03956 2/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
MMP13 P45452 2/20 0.45
MMP8 P22894 1/20 0.45
GAA P10253 1/20 0.45
GRK2 P25098 2/20 0.45
PPARG P37231 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL7866998 0.87 LMNA (0.48) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7868885 0.87 KMT2A (0.57) KMT2AALDH1A1LMNAGAA
SCHEMBL7869959 0.83 HTT (0.83) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7868880 0.79 FFAR1 (0.47) KMT2AALDH1A1POLBLMNA
SCHEMBL8448556 0.79 MEP1B (0.52) MMP1ALDH1A1SMN1; SMN2MMP13MMP8
SCHEMBL7867121 0.79 FFAR1 (0.46) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL6932007 0.78 HTT (0.53) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7017241 0.77 KMT2A (0.54) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL7874061 0.77 ALDH1A1 (0.58) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7869987 0.77 LMNA (0.57) HTTNPSR1MMP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
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