SCHEMBL9057604

SCHEMBL9057604

Cc1ccc(S(=O)(=O)Oc2cc(CO)cc3c2OC(c2ccccc2)(c2ccccc2)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
GAA P10253 3/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 5/20 0.38
CNR1 P21554 5/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GFER P55789 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9063668 0.83 KMT2A (0.40) KMT2AMEN1GAAESR1ESR2
SCHEMBL9053833 0.83 SMN1; SMN2 (0.40) KMT2AMEN1GAAESR1ESR2
SCHEMBL9063667 0.82 GAA (0.39) KMT2AMEN1GAAESR1ESR2
SCHEMBL9052756 0.81 GAA (0.38) KMT2AMEN1GAAESR1ESR2
SCHEMBL9053411 0.76 GAA (0.43) KMT2AMEN1GAAESR1ESR2
SCHEMBL9053044 0.72 GAA (0.36) KMT2AMEN1GAAESR1ESR2
SCHEMBL9062465 0.72 ALDH1A1 (0.50) KMT2AMEN1GAALMNAMAPK1
SCHEMBL31014003 0.72 KMT2A (0.46) KMT2AMEN1GAAESR1ESR2
SCHEMBL9058113 0.71 ENPP3 (0.39) CNR1
SCHEMBL9063431 0.71 MEN1 (0.40) KMT2AMEN1GAALMNAALDH1A1

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