SCHEMBL8344801

SCHEMBL8344801

CC(C)(Sc1cc(C(C)(C)C)c(OP(=O)(O)O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OP(=O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
VCAM1 P19320 13/20 0.49
INPPL1 O15357 4/20 0.41
INPP5A Q14642 3/20 0.41
INPP5B P32019 1/20 0.41
SRC P12931 2/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL8344276 0.94 ALOX15 (0.64) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8346627 0.92 ALOX15 (0.62) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8346532 0.81 ALOX15 (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8480850 0.80 SRC (0.53) INPPL1INPP5AINPP5BSRCAKT1
SCHEMBL29145019 0.80 INPPL1 (0.42) MAPTALOX15INPPL1INPP5AINPP5B
Probucol SCHEMBL8344272 0.77 HPN (0.81) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL27456035 0.75 INPPL1 (0.38) MAPTALOX15INPPL1INPP5AINPP5B
Phosphoric Acid SCHEMBL27740009 0.75 HSPA5 (0.44) MAPTINPPL1INPP5AINPP5BSRC
SCHEMBL11364581 0.74 INPPL1 (0.53) INPPL1INPP5AINPP5BSRCAKT1
SCHEMBL14598537 0.74 HPN (0.57) HPNMAPTALOX15SIRT5VCAM1

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-1999024400-A1 PROBUCOL ESTERS AND USES THEREOF VYREX CORPORATION (US) 1999-05-20 WO disclosed