SCHEMBL7055484

SCHEMBL7055484

CCC(Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)Oc1ccc(S(=O)(=O)c2ccc(OC/C=C/COc3ccc(S(=O)(=O)c4ccccc4O)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
PKM P14618 1/20 0.39
CTRC Q99895 1/20 0.39
ELANE P08246 2/20 0.38
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP2 P08253 6/20 0.34
MMP12 P39900 5/20 0.34
MMP13 P45452 5/20 0.34
MMP14 P50281 5/20 0.34
MMP8 P22894 4/20 0.34
MMP16 P51512 4/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL51737 0.90 GAA (0.48) GAAPKMCTRCELANEPOLB
SCHEMBL1794492 0.84 CA12 (0.43) GAAPOLBGFERMMP2MMP12
SCHEMBL1794491 0.84 CA12 (0.43) GAAPOLBGFERMMP2MMP12
SCHEMBL1794880 0.82 GAA (0.40) GAAPKMELANEPOLBGFER
SCHEMBL1794882 0.82 GAA (0.40) GAAPKMELANEPOLBGFER
SCHEMBL10192348 0.81 CTRC (0.40) GAAPKMCTRCELANEMMP2
SCHEMBL50825 0.81 GAA (0.46) GAAPKMCTRCELANENPSR1
SCHEMBL50955 0.80 PKM (0.59) GAAPKMCTRCELANEPOLB
SCHEMBL51566 0.77 PKM (0.58) GAAPKMELANEPOLBNPSR1
SCHEMBL50900 0.77 PKM (0.58) GAAPKMELANEPOLBNPSR1

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-0999072-B1 A thermally sensitive recording medium JUJO PAPER CO LTD (JP) 2003-05-02 EP disclosed
US-6303540-B1 CONTAINING DIPHENYLSULFONE BRIDGEABLE TYPE COMPOUND AND SULFONAMIDE COMPOUND NIPPON PAPER INDUSTRIES CO LTD (JP) 2001-10-16 US disclosed
EP-0999072-A1 A thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2000-05-10 EP disclosed