SCHEMBL16606277

SCHEMBL16606277

CC(=O)OCC(OC(C)=O)c1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 8/20 0.38
KDM4E B2RXH2 7/20 0.38
MAPT P10636 6/20 0.38
BLM P54132 6/20 0.38
HSD17B10 Q99714 4/20 0.38
ADRB2 P07550 4/20 0.38
TSHR P16473 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP1A2 P05177 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
SLC6A2 P23975 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RECQL P46063 4/20 0.38
MEN1 O00255 3/20 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
SCHEMBL17254144 0.88 BCHE (0.47) PTPN1BCHEACHETDP1KDM4E
SCHEMBL17254031 0.85 CA12 (0.43) PTPN1BCHEACHETDP1KDM4E
SCHEMBL17253648 0.82 APP (0.41) BCHEACHETDP1KDM4EMAPT
SCHEMBL17253656 0.81 TDP1 (0.51) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL17253792 0.80 APP (0.43) PTPN1TSHRCYP1A2SMN1; SMN2MAPK1
SCHEMBL17253647 0.79 TSHR (0.44) TDP1KDM4EADRB2TSHRHIF1A
SCHEMBL10520406 0.79 TDP1 (0.41) ACHETDP1HSD17B10ADRB2MAPK1
SCHEMBL20622236 0.78 SIGMAR1 (0.44) TDP1MAPTADRB2ADRB1ADRB3
SCHEMBL4285363 0.77 PABPC1 (0.52) TDP1TSHRCYP1A2SMN1; SMN2KMT2A
SCHEMBL14515275 0.77 TDP1 (0.55) TDP1KDM4EMAPTTSHRCYP1A2

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-2015044470-A1 NOVEL ANTI-INFLAMMATORY AGENTS BASED ON POLYPHENOLS OF THE OLIVE TREE UNVIERSIDAD DE SEVILLA (ES) 2015-04-02 WO disclosed