SCHEMBL28291253

SCHEMBL28291253

CNCCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LTA4H P09960 4/20 0.46
IDO1 P14902 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SLC15A1 P46059 1/20 0.43

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
SCHEMBL1696597 0.90 DPP8 (0.52) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
SCHEMBL8695483 0.84 ALDH1A1 (0.51) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
Hydrochloric Acid SCHEMBL27452128 0.83 LTA4H (0.56) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
SCHEMBL3096935 0.83 ALDH1A1 (0.53) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
SCHEMBL12869905 0.83 ALDH1A1 (0.53) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
Methyl Alcohol SCHEMBL28469240 0.82 S1PR2 (0.48) ALDH1A1IDO1LAP3
SCHEMBL10441465 0.82 IDO1 (0.53) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
SCHEMBL4161005 0.82 IDO1 (0.53) SLC1A3SLC1A1ALDH1A1LTA4HIDO1
SCHEMBL21189175 0.82 S1PR2 (0.50) SLC1A3SLC1A1ALDH1A1IDO1MAPK1
SCHEMBL1345896 0.82 LTA4H (0.55) SLC1A3SLC1A1ALDH1A1LTA4HIDO1

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-109569736-A A kind of novel catalyst of denitrification and preparation method thereof 乔培根 2019-04-05 CN claimed
CN-109569736-A A kind of novel catalyst of denitrification and preparation method thereof 乔培根 2019-04-05 CN disclosed