SCHEMBL30168488

SCHEMBL30168488

O=C(/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.79
▸ DPP4 P27487 1/20 0.79
▸ GAA P10253 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ SNCA P37840 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ G6PD P11413 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ ACHE P22303 1/20 0.52
▸ TYR P14679 2/20 0.51
▸ CYP46A1 Q9Y6A2 1/20 0.51
▸ PTGS1 P23219 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NFKB1 P19838 1/20 0.48

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
SCHEMBL2958166 1.00 AKR1B1 (0.79) AKR1B1DPP4GAATDP1SNCA
SCHEMBL30383207 1.00 AKR1B1 (0.79) AKR1B1DPP4GAATDP1SNCA
SCHEMBL25200498 1.00 AKR1B1 (0.79) AKR1B1DPP4GAATDP1SNCA
SCHEMBL25203608 1.00 AKR1B1 (0.79) AKR1B1DPP4GAATDP1SNCA
SCHEMBL25211745 0.94 AKR1B1 (0.74) AKR1B1DPP4GAATDP1SNCA
SCHEMBL25191310 0.93 AKR1B1 (0.80) AKR1B1DPP4GAATDP1SNCA
SCHEMBL30384581 0.93 AKR1B1 (0.80) AKR1B1DPP4GAATDP1SNCA
SCHEMBL25221633 0.93 AKR1B1 (0.80) AKR1B1DPP4GAATDP1SNCA
SCHEMBL25214813 0.93 AKR1B1 (0.80) AKR1B1DPP4GAATDP1SNCA
SCHEMBL30384234 0.93 AKR1B1 (0.80) AKR1B1DPP4GAATDP1SNCA

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
CN-115666621-A Sustained release drug delivery systems with reduced impurities and related methods 度勒科特公司 2023-01-31 — — CN disclosed
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