SCHEMBL329171

SCHEMBL329171

C=C(CC(=O)OCCC)C(=O)OCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.40
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
NAAA Q02083 1/20 0.30
DGKA P23743 1/20 0.30

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
SCHEMBL822257 0.88 MAPT (0.44) MAPTTSHRMGAMGAASI
SCHEMBL481222 0.84 TSHR (0.41) MAPTTSHRFAAHMGAMGAA
SCHEMBL8461302 0.83 MAPT (0.45) MAPTTSHRMGAMGAASI
SCHEMBL11056232 0.83 TSHR (0.41) MAPTHSD17B10TSHRMGAMGAA
SCHEMBL5284811 0.81 MGAM (0.46) MAPTTSHRFAAHMGAMGAA
SCHEMBL6519648 0.80 GAA (0.35) TSHRFAAHMGAMGAASI
SCHEMBL9773617 0.80 MAPT (0.43) MAPTTSHRMGAMGAASI
SCHEMBL5282987 0.79 ALDH1A1 (0.38) TSHRFAAHMGAMGAASI
SCHEMBL2809634 0.78 CYP19A1 (0.37) MAPTTSHRMGAMGAASI
SCHEMBL10577206 0.78 GAA (0.37) HSD17B10TSHRFAAHMGAMGAA

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-2407493-B1 SILICONE MONOMER NOF CORP (JP) 2014-04-23 EP disclosed
EP-2407493-A1 SILICONE MONOMER NOF Corporation (JP) 2012-01-18 EP disclosed