SCHEMBL30280437

SCHEMBL30280437

CC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
C5AR1 P21730 1/20 0.48
LIPE Q05469 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.46
F2 P00734 2/20 0.46
F10 P00742 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
F7 P08709 2/20 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
SCHEMBL8886562 1.00 HPGD (0.49) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL3565827 0.92 SMPD1 (0.54) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL682767 0.87 MAPT (0.49) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL16785955 0.86 GLRA1 (0.47) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL28815272 0.85 CCR5 (0.49) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL28900111 0.85 KDM4E (0.45) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL8886459 0.84 MAPT (0.46) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL21462514 0.84 POLB (0.45) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL10710291 0.84 CFD (0.49) HPGDRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18869045 0.83 KEAP1 (0.50) HPGDRAB9ANPC1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444569-A Triphenylhydroxytyrosol and synthesis method thereof and application of triphenylhydroxytyrosol in preparation of medicines for improving aortic endothelial cell functions 西安交通大学 2023-07-18 CN disclosed
CN-115850334-A Triphenylphosphonium-hydroxytyrosol, synthesis method thereof and application thereof in preparing drugs for inhibiting cancer cell proliferation 西安交通大学 2023-03-28 CN disclosed