SCHEMBL28112005

SCHEMBL28112005

CCCCCCCCCCCCCCCCOC[C@H]1O[C@@H](O)[C@H](OCCCCCCCCCCCCCCCC)[C@@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.56
GJB2 P29033 4/20 0.47
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.40
SLC2A1 P11166 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
SMPD1 P17405 2/20 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
SCHEMBL28111521 1.00 GBA1 (0.56) GBA1GJB2ALDH1A1TDP1TNF
SCHEMBL27951346 0.87 GBA1 (0.49) GBA1GJB2ALDH1A1TDP1TNF
SCHEMBL16149833 0.87 SLC2A1 (0.49) GBA1GJB2ALDH1A1TDP1TNF
SCHEMBL16149835 0.87 SLC2A1 (0.49) GBA1GJB2ALDH1A1TDP1TNF
SCHEMBL23610595 0.86 GBA1 (0.47) GBA1GJB2ALDH1A1TDP1TNF
SCHEMBL8691523 0.86 GBA1 (0.53) GBA1GJB2TNFMAPK1
SCHEMBL8686677 0.86 GBA1 (0.53) GBA1GJB2TNFMAPK1
SCHEMBL8686418 0.86 GBA1 (0.53) GBA1GJB2TNFMAPK1
SCHEMBL8686417 0.86 GBA1 (0.53) GBA1GJB2TNFMAPK1
Bromide SCHEMBL23111931 0.85 GBA1 (0.46) GBA1GJB2ALDH1A1TDP1TNF

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
CN-106267224-A The preparation method of galactose derivative cationic-liposome nano-particle 湖南师范大学 2017-01-04 CN claimed
CN-106267224-A The preparation method of galactose derivative cationic-liposome nano-particle 湖南师范大学 2017-01-04 CN disclosed