SCHEMBL10075935

SCHEMBL10075935

CCOc1ccc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.53
▸ CA2 P00918 2/20 0.53
▸ AKR1B1 P15121 1/20 0.51
▸ DPP4 P27487 1/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 2/20 0.50
▸ ELANE P08246 1/20 0.50
▸ SNCA P37840 1/20 0.50
▸ SLC5A1 P13866 5/20 0.48
▸ SLC5A2 P31639 5/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL10075930 0.90 MAOB (0.49) SLC5A1SLC5A2SMN1; SMN2
SCHEMBL9237343 0.86 SNCA (0.54) CA9CA2AKR1B1DPP4CA12
SCHEMBL2679888 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL545860 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL30561316 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL9942496 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL15147266 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL15144479 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL20959521 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12
SCHEMBL30561294 0.85 CA2 (0.64) CA9CA2AKR1B1DPP4CA12

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-2012010554-A1 USE OF COMPOUNDS RESULTING FROM A SUGAR POLYOL OR FROM A DEHYDROGENATED SUGAR POLYOL DERIVATIVE AS A UV-SCREENING AGENT; ANTISUN COMPOSITIONS CONTAINING SAME; AND NOVEL COMPOUNDS L'OREAL (FR) 2012-01-26 — — WO disclosed
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