SCHEMBL28119342

SCHEMBL28119342

CC(C)(C)OC(=O)OC(=O)[C@@H](N)CCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
SLC15A1 P46059 2/20 0.42
SYK P43405 1/20 0.41
SLC7A5 Q01650 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL28119343 1.00 LTA4H (0.52) LTA4HLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL12155266 0.90 LTA4H (0.61) LTA4HLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL7740145 0.90 LTA4H (0.61) LTA4HLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL7740147 0.90 LTA4H (0.61) LTA4HLMNAALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL25286512 0.89 LTA4H (0.60) LTA4HLMNAALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL3501117 0.89 LTA4H (0.60) LTA4HLMNAALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL15387431 0.89 LTA4H (0.60) LTA4HLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL9716820 0.85 LTA4H (0.56) LTA4HALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL22911218 0.85 LTA4H (0.56) LTA4HALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL14450594 0.85 LTA4H (0.56) LTA4HALDH1A1MAPK1L3MBTL1SLC15A1

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-104448295-B The rapamycin derivative of polyethylene glycol multijaw oligopeptides bonding 北京键凯科技股份有限公司 2018-01-23 CN disclosed
CN-103965458-B Polyethylene glycol-amino acid oligopeptide-dasatinib conjugate and pharmaceutical composition thereof 天津键凯科技有限公司 2017-02-15 CN disclosed