SCHEMBL9058148

SCHEMBL9058148

Cc1ccc(S(=O)(=O)Oc2cc(O)cc(C(=O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
G6PD P11413 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCAR1 Q9BXC0 1/20 0.47
ENPP2 Q13822 3/20 0.47
STAT3 P40763 2/20 0.47
PPARG P37231 1/20 0.45
ENPP1 P22413 3/20 0.44
ENPP3 O14638 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1146954 0.86 MEN1 (0.51) MEN1KMT2AGAAENPP2ENPP1
SCHEMBL14878174 0.83 MEN1 (0.60) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL2231773 0.81 KMT2A (0.51) MEN1KMT2AGAAMAPTG6PD
SCHEMBL28680003 0.81 GAA (0.60) MEN1KMT2AGAAMAPTG6PD
SCHEMBL1665713 0.80 MEN1 (0.70) MEN1KMT2AGAAMAPTG6PD
SCHEMBL9054697 0.79 KMT2A (0.47) MEN1KMT2AGAAMAPTG6PD
SCHEMBL5083041 0.78 MEN1 (0.58) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL30899144 0.77 MEN1 (0.64) MEN1KMT2AGAAMAPTG6PD
SCHEMBL7937565 0.77 PTGS2 (0.51) MEN1KMT2AGAAMAPTG6PD
SCHEMBL10770101 0.77 TDP1 (0.51) MEN1KMT2AMAPTENPP2PPARG

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-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed