SCHEMBL7647620

SCHEMBL7647620

CC(C)CC(N)C(=O)OCCCCOC(=O)C(N)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
ANPEP P15144 5/20 0.39
RNPEP Q9H4A4 2/20 0.39
DNPEP Q9ULA0 1/20 0.39
LAP3 P28838 4/20 0.35
ERAP1 Q9NZ08 1/20 0.35
NOD1 Q9Y239 1/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A1 P43005 2/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
NAAA Q02083 1/20 0.33
LARS1 Q9P2J5 1/20 0.33

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
SCHEMBL19166196 0.98 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL12551467 0.98 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL18347411 0.98 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL14095412 0.96 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL20509278 0.92 NAAA (0.46) SLC7A5SLC1A2NOD1ALDH1A1TSHR
SCHEMBL8230649 0.92 NAAA (0.46) SLC7A5SLC1A2NOD1ALDH1A1TSHR
SCHEMBL13144609 0.91 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL23510792 0.91 NAAA (0.44) SLC7A5SLC1A2NOD1ALDH1A1TSHR
SCHEMBL7775081 0.91 NAAA (0.48) SLC7A5NOD1ALDH1A1TSHRNAAA
SCHEMBL10346980 0.91 NAAA (0.48) SLC7A5NOD1ALDH1A1TSHRNAAA

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
WO-2002053616-A1 NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO disclosed