SCHEMBL3899535

SCHEMBL3899535

CCOC(=O)CNC(=O)CS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.61
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
KMT2A Q03164 4/20 0.56
PPID Q08752 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.50
MMP2 P08253 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL2024141 0.83 KMT2A (0.73) HSD11B1CA12CA9KMT2AALDH1A1
SCHEMBL6751981 0.82 KMT2A (0.71) HSD11B1CA12CA9KMT2AALDH1A1
SCHEMBL4731443 0.81 HSD11B1 (0.63) HSD11B1CA12CA9KMT2AGAA
SCHEMBL3899884 0.80 KMT2A (0.68) HSD11B1CA12CA9KMT2AALDH1A1
SCHEMBL13901447 0.79 PPID (0.55) HSD11B1KMT2APPIDALDH1A1GAA
SCHEMBL11225865 0.78 KMT2A (0.69) HSD11B1CA12CA9KMT2AGAA
SCHEMBL30385493 0.76 PPID (0.66) KMT2APPIDALDH1A1GAAPOLB
Toluene SCHEMBL28067808 0.74 PPID (0.59) PPIDALDH1A1GAAPOLB
SCHEMBL28244926 0.74 LMNA (0.65) HSD11B1KMT2AALDH1A1GAAPOLB
SCHEMBL9330265 0.74 PPID (0.52) HSD11B1KMT2APPIDALDH1A1MMP2

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-1788429-B1 Method of making a lithographic printing plate AGFA GRAPHICS NV (BE) 2009-03-18 EP disclosed
WO-2007057346-A2 METHOD OF MAKING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2007-05-24 WO disclosed
EP-1788429-A1 Method of making a lithographic printing plate Agfa Graphics N.V. (BE) 2007-05-23 EP disclosed