SCHEMBL16360706

SCHEMBL16360706

COCCOCCOCCOc1cc(C=O)cc(OCCOCCOCCOC)c1OCCOCCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
ALDH1A1 P00352 10/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.45
TNFRSF1A P19438 1/20 0.45
EGFR P00533 4/20 0.43
HTT P42858 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
SCHEMBL7467304 0.86 FDPS (0.57) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL7951806 0.85 FDPS (0.41) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL31268362 0.82 FDPS (0.71) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL16360861 0.82 FDPS (0.71) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL30802598 0.82 FDPS (0.71) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL7962228 0.81 FDPS (0.45) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL2709918 0.81 FDPS (0.47) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL13168474 0.80 FDPS (0.50) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL30407414 0.80 FDPS (0.58) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL7867510 0.80 FDPS (0.58) FDPSALDH1A1MAPTHPGDL3MBTL1

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-2009112682-A1 ENCAPSULATION OF VITAMIN C INTO WATER SOLUBLE DENDRIMERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS (FR) 2009-09-17 WO disclosed