SCHEMBL27061237

SCHEMBL27061237

COc1cc(/C=C/C(=O)OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)cc(OC)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.65
▸ P4HB P07237 3/20 0.60
▸ ALPL P05186 1/20 0.60
▸ ALPI P09923 1/20 0.60
▸ ALPG P10696 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CYP3A4 P08684 3/20 0.58
▸ CA12 O43570 2/20 0.58
▸ CA4 P22748 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ TYR P14679 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ XDH P47989 2/20 0.58
▸ KDM1A O60341 1/20 0.58
▸ PRSS1 P07477 1/20 0.58
▸ PRSS2 P07478 1/20 0.58
▸ ADRA2A P08913 1/20 0.58

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
SCHEMBL27062412 1.00 AKR1B1 (0.65) AKR1B1P4HBALPLALPIALPG
SCHEMBL18307158 1.00 AKR1B1 (0.65) AKR1B1P4HBALPLALPIALPG
SCHEMBL18307172 1.00 AKR1B1 (0.65) AKR1B1P4HBALPLALPIALPG
SCHEMBL18307161 0.96 P4HB (0.62) AKR1B1P4HBALPLALPIALPG
SCHEMBL27062477 0.96 P4HB (0.62) AKR1B1P4HBALPLALPIALPG
SCHEMBL27062096 0.96 P4HB (0.62) AKR1B1P4HBALPLALPIALPG
SCHEMBL18307190 0.96 P4HB (0.62) AKR1B1P4HBALPLALPIALPG
SCHEMBL18307162 0.96 AKR1B1 (0.71) AKR1B1P4HBL3MBTL1CYP3A4CA12
SCHEMBL18307159 0.95 CA12 (0.65) AKR1B1P4HBL3MBTL1CYP3A4CA12
SCHEMBL18307200 0.95 CA12 (0.65) AKR1B1P4HBL3MBTL1CYP3A4CA12

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
EP-3307753-B1 UV-B ABSORBING COMPOUNDS ISOLATED FROM PLANTS MAX PLANCK GESELLSCHAFT (DE) 2024-01-24 — — EP disclosed
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