SCHEMBL9053044

SCHEMBL9053044

Cc1ccc(S(=O)(=O)Oc2c(C(=O)O)ccc3c2OC(c2ccccc2)(c2ccccc2)O3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 2/20 0.36
CNR1 P21554 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
MAPT P10636 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MCL1 Q07820 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
SCHEMBL9057520 0.81 CNR1 (0.35) CNR1
SCHEMBL9053411 0.80 GAA (0.43) GAAMEN1ESR1KMT2AESR2
SCHEMBL9040225 0.74 CNR1 (0.42) CNR1ALDH1A1CYP1A2
SCHEMBL30899143 0.74 TUBB4A (0.48) GAAMEN1ESR1KMT2AESR2
SCHEMBL2454963 0.74 TUBB4A (0.48) GAAMEN1ESR1KMT2AESR2
SCHEMBL9063667 0.74 GAA (0.39) GAAMEN1ESR1KMT2AESR2
SCHEMBL9057604 0.72 KMT2A (0.40) GAAMEN1ESR1KMT2AESR2
SCHEMBL9063668 0.72 KMT2A (0.40) GAAMEN1ESR1KMT2AESR2
SCHEMBL9053833 0.72 SMN1; SMN2 (0.40) GAAMEN1ESR1KMT2AESR2
SCHEMBL9052756 0.72 GAA (0.38) GAAMEN1ESR1KMT2AESR2

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