SCHEMBL28294548

SCHEMBL28294548

CCOC(=O)NOCCCCl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 2/20 0.34
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL11492693 0.87 ACHE (0.40) SMN1; SMN2MAPK1ALDH1A1ACHEKDM4E
SCHEMBL10773332 0.86 EPHX1 (0.44) GAAALOX15MGAMSIMGAM2
SCHEMBL1136659 0.84 SMN1; SMN2 (0.45) GAAALOX15MGAMSIMGAM2
SCHEMBL4632318 0.81 EPHX1 (0.53) ACHEEPHX1
SCHEMBL541144 0.79 GAA (0.42) GAAALOX15MGAMSIMGAM2
SCHEMBL27633101 0.78 CYP1A2 (0.42) GAAALOX15MGAMSIMGAM2
SCHEMBL2762290 0.78 ACHE (0.41) GAAALOX15MGAMSIMGAM2
Hydrochloric Acid SCHEMBL10556812 0.78 GAA (0.41) GAAALOX15MGAMSIMGAM2
SCHEMBL608445 0.77
SCHEMBL8620634 0.76 GAA (0.39) GAAALOX15MGAMSIMGAM2

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-109679289-A A kind of preparation method and composite material of high-toughness wear-resistant epoxy resin composite material 华东理工大学 2019-04-26 CN disclosed