SCHEMBL9052909

SCHEMBL9052909

CNC(=O)c1cc(O)c(O)c(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.49
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
CA2 P00918 1/20 0.43
EGFR P00533 2/20 0.43
MMP13 P45452 1/20 0.42
ENPP2 Q13822 2/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL7632373 0.85 GAA (0.53) SNCAKMT2AGAAMEN1ESR1
SCHEMBL7937565 0.85 PTGS2 (0.51) SNCAKMT2AGAAMEN1ESR1
SCHEMBL9053651 0.84 KMT2A (0.50) SNCAKMT2AGAAMEN1ESR1
SCHEMBL9059038 0.82 KMT2A (0.48) SNCAKMT2AGAAMEN1ESR1
SCHEMBL9576383 0.78 ESR1 (0.49) KMT2AGAAMEN1ESR1ESR2
SCHEMBL5410847 0.76 GAA (0.43) SNCAKMT2AGAAMEN1ESR1
SCHEMBL9053528 0.75 CYP1A2 (0.50) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9054847 0.74 HTT (0.54) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9054815 0.72 ALDH1A1 (0.56) KMT2AGAAMEN1CA2ALDH1A1
SCHEMBL9054334 0.72 PTGS2 (0.51) SNCAGAACA2ENPP2ENPP3

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