SCHEMBL19645122

SCHEMBL19645122

CCc1ccc(/C=C/C(=O)c2ccc(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)c(O)c2O)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.83
TDP1 Q9NUW8 1/20 0.83
AKR1B1 P15121 2/20 0.59
DPP4 P27487 1/20 0.59
SNCA P37840 1/20 0.56
PTGS1 P23219 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.46
CYP46A1 Q9Y6A2 2/20 0.45
SLC28A3 Q9HAS3 2/20 0.45
TYR P14679 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43

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
Marein SCHEMBL620953 0.91 GAA (1.00) GAATDP1AKR1B1DPP4SNCA
Marein SCHEMBL13255955 0.91 GAA (1.00) GAATDP1AKR1B1DPP4SNCA
Marein SCHEMBL13227297 0.91 GAA (1.00) GAATDP1AKR1B1DPP4SNCA
Marein SCHEMBL620954 0.91 GAA (1.00) GAATDP1AKR1B1DPP4SNCA
SCHEMBL29456135 0.83 GAA (0.81) GAATDP1AKR1B1DPP4SNCA
SCHEMBL25195145 0.78 AKR1B1 (0.75) GAATDP1AKR1B1DPP4SNCA
SCHEMBL25209777 0.77 AKR1B1 (0.71) GAATDP1AKR1B1DPP4SNCA
SCHEMBL30092342 0.77 AKR1B1 (0.80) GAATDP1AKR1B1DPP4SNCA
SCHEMBL25195568 0.77 AKR1B1 (0.71) GAATDP1AKR1B1DPP4SNCA
SCHEMBL30674920 0.77 GAA (0.67) GAATDP1AKR1B1DPP4SNCA

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
US-9828407-B2 Water soluble and activable phenolic derivatives with dermocosmetic and therapeutic applications and process for preparing said derivatives LIBRAGEN (FR) 2017-11-28 US disclosed