SCHEMBL27475486

SCHEMBL27475486

CC(C)(C)OC(=O)C(N)CCCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
SYK P43405 1/20 0.45
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
SLC7A5 Q01650 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
PSMB5 P28074 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL30634632 1.00 LTA4H (0.57) LTA4HSYKIDO1ALDH1A1POLB
SCHEMBL30869171 1.00 LTA4H (0.57) LTA4HSYKIDO1ALDH1A1POLB
Hydrochloric Acid SCHEMBL30634636 0.99 LTA4H (0.56) LTA4HSYKIDO1ALDH1A1POLB
Hydrochloric Acid SCHEMBL30401409 0.99 LTA4H (0.56) LTA4HSYKIDO1ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL31374716 0.94 LTA4H (0.52) LTA4HSYKIDO1ALDH1A1POLB
SCHEMBL10441465 0.88 IDO1 (0.53) LTA4HIDO1ALDH1A1SLC7A5L3MBTL1
SCHEMBL4161005 0.88 IDO1 (0.53) LTA4HIDO1ALDH1A1SLC7A5L3MBTL1
SCHEMBL8698981 0.88 LTA4H (0.56) LTA4HSYKALDH1A1SLC7A5MAPT
SCHEMBL14037218 0.87 LTA4H (0.50) LTA4HSYKIDO1ALDH1A1POLB
SCHEMBL31300256 0.87 CTSK (0.52) LTA4HSYKMAPT

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-1174248-C Graphite nanotube for electrochemiluminescence measurement, composition thereof, measurement reagent and measurement method ÷ 2004-11-03 CN disclosed