SCHEMBL7869959

SCHEMBL7869959

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.83
NPSR1 Q6W5P4 1/20 0.83
MMP1 P03956 1/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
GRK2 P25098 2/20 0.49
PPARG P37231 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL5602804 0.91 HTT (1.00) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7862207 0.83 FFAR1 (0.57) HTTNPSR1MMP1KDM4EALDH1A1
SCHEMBL7869912 0.83 HTT (0.57) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7077677 0.82 HTT (0.82) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL8926908 0.77 HTT (0.73) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL8446269 0.76 MEP1B (0.58) MMP1ALDH1A1POLBMAPTMMP8
SCHEMBL4592282 0.75 HTT (0.70) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL5602773 0.75 MMP1 (1.00) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7862220 0.74 KMT2A (0.69) HTTNPSR1MMP1KMT2AMEN1
SCHEMBL7866972 0.74 FFAR1 (0.62) HTTNPSR1MMP1KMT2AMEN1

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