SCHEMBL28170754

SCHEMBL28170754

NOC(=O)CC[C@H](N)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SLC1A5 Q15758 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
LTA4H P09960 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36

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
SCHEMBL10390365 0.91 ALDH1A1 (0.41) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
SCHEMBL27551719 0.91 ALDH1A1 (0.41) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
SCHEMBL5084403 0.91 ALDH1A1 (0.44) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
SCHEMBL5084405 0.91 ALDH1A1 (0.44) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
SCHEMBL28374594 0.90 ALDH1A1 (0.42) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
Hydrochloric Acid SCHEMBL31375791 0.90 ALDH1A1 (0.42) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
SCHEMBL1997086 0.86 ALDH1A1 (0.45) ALDH1A1SLC1A5KDM4EGAAL3MBTL1
SCHEMBL26427016 0.83 SLC7A5 (0.44) ALDH1A1SLC1A5TDP1MAPK1HIF1A
SCHEMBL9925277 0.80 SLC1A5 (0.48) ALDH1A1SLC1A5KMT2ALMNAF2
SCHEMBL1997087 0.80 SLC1A5 (0.48) ALDH1A1SLC1A5KMT2ALMNAF2

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-107098970-A With reference to the intracellular polypeptides of PRL 1 or the antibody of the polypeptides of PRL 3 新加坡科技研究局 2017-08-29 CN disclosed