SCHEMBL5049562

SCHEMBL5049562

COC(=O)CCOC(=O)COc1ccc(OCC(=O)OC(C)C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HTT P42858 2/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARD Q03181 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4267095 0.89 MAPT (0.54) SMN1; SMN2L3MBTL1MAPTPOLBPTGS2
SCHEMBL5046734 0.80 MAPT (0.45) SMN1; SMN2L3MBTL1MAPTHSD17B10HTT
SCHEMBL809993 0.77 PTGS2 (0.50) SMN1; SMN2L3MBTL1MAPTPOLBCYP2C19
SCHEMBL4267097 0.75 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1MAPTPOLBALDH1A1
SCHEMBL810052 0.74 HDAC1 (0.45) HTT
SCHEMBL4264046 0.72 PTGS2 (0.58) SMN1; SMN2L3MBTL1MAPTPOLBCYP2C19
SCHEMBL13935133 0.72 PTGS2 (0.58) SMN1; SMN2L3MBTL1MAPTPOLBCYP2C19
SCHEMBL810018 0.72 PPARD (0.53) L3MBTL1MAPTHSD17B10CYP2C19HTT
SCHEMBL7080788 0.72 TSHR (0.56) SMN1; SMN2L3MBTL1MAPTHSD17B10TDP1
SCHEMBL2116437 0.72 PTGS2 (0.66) SMN1; SMN2L3MBTL1MAPTHSD17B10POLB

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
EP-1951260-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM Bezwada Biomedical LLC (US) 2008-08-06 EP disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO disclosed