SCHEMBL3369498

SCHEMBL3369498

COc1c(O)ccc(C(=O)O)c1CCc1c(C(=O)O)ccc(O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
HTT P42858 1/20 0.40
CSNK2A1 P68400 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TPMT P51580 4/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LCK P06239 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38
MMP9 P14780 1/20 0.38
DNMT1 P26358 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38

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
SCHEMBL3370741 0.93 TDP1 (0.47) TDP1MAPTSELLSELPHTT
SCHEMBL3365334 0.93 TDP1 (0.47) TDP1MAPTSELLSELPHTT
SCHEMBL3366515 0.92 MAPT (0.46) TDP1MAPTSELLSELPHTT
SCHEMBL30947789 0.92 MAPT (0.46) TDP1MAPTSELLSELPHTT
SCHEMBL11895245 0.92 TDP1 (0.46) TDP1MAPTSELLSELPHTT
SCHEMBL3368061 0.92 MAPT (0.46) TDP1MAPTSELLSELPHTT
SCHEMBL28665839 0.89 PPARA (0.46) TDP1MAPTPPARGPPARAMCL1
SCHEMBL3245100 0.88 TDP1 (0.49) TDP1MAPTSELLSELPHTT
SCHEMBL25232693 0.86 TDP1 (0.47) TDP1MAPTSELLSELPHTT
SCHEMBL2047272 0.86 PPARA (0.54) PPARGPPARAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043631-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY UNIVERSITE LIBRE DE BRUXELLES (BE) 2010-04-22 WO claimed
CN-118234793-A Stabilizer based on syringic acid, vanillic acid, isovanillic acid or 5-hydroxyveratric acid, plastic composition, method for stabilizing a plastic composition and stabilizer composition 弗劳恩霍夫应用研究促进协会 2024-06-21 CN disclosed
WO-2010043631-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY UNIVERSITE LIBRE DE BRUXELLES (BE) 2010-04-22 WO disclosed