SCHEMBL28097661

SCHEMBL28097661

CCC(=O)C(NC(C)=O)C(O)C(O)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PDE4A P27815 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
PLA2G2C Q5R387 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
SCHEMBL11326218 1.00 LMNA (0.39) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL11319586 1.00 LMNA (0.39) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL11314672 1.00 LMNA (0.39) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL11320333 0.86 LMNA (0.37) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL8804538 0.84 PDE4A (0.41) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL28097660 0.83 MAPK1 (0.38) LMNAL3MBTL1KDM4EPDE4ATP53
SCHEMBL9235255 0.83 LMNA (0.44) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL28315112 0.83 LMNA (0.37) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL7596511 0.82 MEN1 (0.42) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL468790 0.81 PDE4A (0.50) LMNAL3MBTL1KDM4EPDE4ATDP1

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
CN-106068270-A Process for producing alkyl-N-acetylglucosaminide 长谷川香料株式会社 2016-11-02 CN disclosed