SCHEMBL9054029

SCHEMBL9054029

Cc1ccc(S(=O)(=O)Oc2cc(O)c(O)cc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
GAA P10253 4/20 0.52
MEN1 O00255 3/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
STAT3 P40763 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PTPN1 P18031 1/20 0.44
CYP1A2 P05177 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
CSNK2A1 P68400 1/20 0.44
GFER P55789 1/20 0.43
MCL1 Q07820 2/20 0.43
METAP2 P50579 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 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
SCHEMBL344623 0.84 KMT2A (0.53) KMT2AGAAMEN1ESR1ESR2
SCHEMBL343849 0.81 KMT2A (0.53) KMT2AGAAMEN1ESR1ESR2
SCHEMBL30301772 0.81 KMT2A (0.53) KMT2AGAAMEN1ESR1ESR2
SCHEMBL3976179 0.79 MAPT (0.56) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7937565 0.78 PTGS2 (0.51) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9054847 0.78 HTT (0.54) KMT2AGAAMEN1ESR1ESR2
SCHEMBL345493 0.78 MEN1 (0.57) KMT2AGAAMEN1ESR1ESR2
SCHEMBL17873958 0.76 ALDH1A1 (0.44) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9059778 0.75 STAT3 (0.47) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9053411 0.75 GAA (0.43) KMT2AGAAMEN1ESR1ESR2

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