SCHEMBL28239003

SCHEMBL28239003

N[C@@H](CCC(=O)ON(CCCl)CCCl)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LTA4H P09960 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
HIF1A Q16665 3/20 0.33
KMT2A Q03164 3/20 0.33
SLC6A3 Q01959 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
LMNA P02545 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CYP3A4 P08684 3/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 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
SCHEMBL5084405 0.82 ALDH1A1 (0.44) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL5084403 0.82 ALDH1A1 (0.44) SLC1A5ALDH1A1LTA4HTDP1HIF1A
Hydrochloric Acid SCHEMBL31375791 0.81 ALDH1A1 (0.42) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL28374594 0.81 ALDH1A1 (0.42) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL28170754 0.79 ALDH1A1 (0.41) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL1997086 0.78 ALDH1A1 (0.45) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL1056862 0.77 CYP3A4 (0.46) ALDH1A1LTA4HTDP1HIF1AKMT2A
SCHEMBL27551719 0.77 ALDH1A1 (0.41) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL10390365 0.77 ALDH1A1 (0.41) SLC1A5ALDH1A1LTA4HTDP1HIF1A
SCHEMBL26427016 0.75 SLC7A5 (0.44) SLC1A5ALDH1A1LTA4HTDP1HIF1A

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-108434440-A Polypeptide vaccine 新加坡科技研究局 2018-08-24 CN disclosed