SCHEMBL7688685

SCHEMBL7688685

CCOC(C)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(OC(C)OCC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MMP1 P03956 2/20 0.32
MMP13 P45452 2/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP3 P08254 3/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP14 P50281 2/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL6736721 0.79 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL482627 0.79 PKM (0.47) CA12CA1CA2CA7CA9
SCHEMBL5350374 0.76 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL24003731 0.76 LMNA (0.38) CA12CA1CA2CA7CA9
SCHEMBL7690154 0.75 MMP2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3852488 0.74 LMNA (0.52) POLBL3MBTL1LMNAKMT2ATDP1
SCHEMBL2530662 0.74 PKM (0.53) CA12CA1CA2CA9MMP1
SCHEMBL6739744 0.74 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6738858 0.74 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7385218 0.73 ALDH1A1 (0.60) MMP1MMP13GAANPSR1MMP3

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-6338931-B1 PHOTOACID GENERATOR OF SULFONYLDIAZOMETHANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US disclosed