SCHEMBL9054697

SCHEMBL9054697

Cc1ccc(S(=O)(=O)Oc2c(O)cc(C(=O)O)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
STAT3 P40763 2/20 0.46
TPMT P51580 5/20 0.44
MAPT P10636 2/20 0.44
G6PD P11413 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.41
GFER P55789 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL7937565 0.85 PTGS2 (0.51) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9059778 0.79 STAT3 (0.47) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9058148 0.79 MEN1 (0.53) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9054847 0.79 HTT (0.54) KMT2AGAAMEN1ESR1ESR2
SCHEMBL8055604 0.79 MEN1 (0.65) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9055302 0.78 GAA (0.42) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7931629 0.77 ALDH1A1 (0.53) KMT2AGAAMEN1TPMTMAPT
SCHEMBL9053528 0.77 CYP1A2 (0.50) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9053867 0.77 ALDH1A1 (0.48) KMT2AGAAMEN1TPMTMAPT
SCHEMBL1665713 0.76 MEN1 (0.70) KMT2AGAAMEN1STAT3MAPT

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