SCHEMBL7901708

SCHEMBL7901708

CCc1cc(S(N)(=O)=O)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
PTGS1 P23219 4/20 0.51
PTGS2 P35354 4/20 0.51
CA2 P00918 7/20 0.50
CA1 P00915 5/20 0.50
CA9 Q16790 5/20 0.50
CA12 O43570 2/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL7904729 0.88 CA2 (0.50) GAALMNAPTGS1PTGS2CA2
SCHEMBL2851142 0.88 GAA (0.51) GAALMNAPTGS1PTGS2CA2
SCHEMBL1808166 0.88 GAA (0.51) GAALMNAPTGS1PTGS2CA2
SCHEMBL1808168 0.86 GAA (0.54) GAALMNAPTGS1PTGS2CA2
SCHEMBL11516151 0.86 GAA (0.50) GAALMNAPTGS1PTGS2CA2
SCHEMBL1808413 0.85 GAA (0.49) GAALMNAPTGS1PTGS2CA2
SCHEMBL17689140 0.84 SMN1; SMN2 (0.62) LMNAPTGS2POLBTSHRMAPK1
SCHEMBL1808414 0.83 GAA (0.51) GAALMNAPTGS1PTGS2CA2
SCHEMBL12545632 0.83 GAA (0.57) GAALMNAPTGS1PTGS2CA2
SCHEMBL24478022 0.82 GABRA1 (0.49) GAALMNAPTGS1PTGS2CA2

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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed