SCHEMBL30280404

SCHEMBL30280404

OCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 3/20 0.50
TSHR P16473 1/20 0.50
FOLH1 Q04609 1/20 0.50
TTR P02766 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ATM Q13315 1/20 0.49
C5AR1 P21730 1/20 0.49
UBE2N P61088 1/20 0.49

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
SCHEMBL584781 1.00 SLC2A1 (0.56) SLC2A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6035606 0.92 MEN1 (0.60) SLC2A1NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL698056 0.90 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL3239903 0.90 BCHE (0.60) NPC1RAB9ASMN1; SMN2HTTHSD17B10
SCHEMBL31361425 0.90 BCHE (0.60) NPC1RAB9ASMN1; SMN2HTTHSD17B10
SCHEMBL31725848 0.90 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13448174 0.87 SLC2A1 (0.54) SLC2A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6044557 0.87 MTNR1A (0.47) SLC2A1NPC1RAB9AHSD17B10POLB
SCHEMBL31040308 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL30027542 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT

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