SCHEMBL5508141

SCHEMBL5508141

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.41
SLC1A2 P43004 4/20 0.40
SLC1A3 P43003 3/20 0.40
SLC1A1 P43005 3/20 0.40
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
LTA4H P09960 1/20 0.32
ACHE P22303 1/20 0.32
DGAT1 O75907 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL11106067 1.00 SLC7A5 (0.41) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL7132175 0.94 SLC7A5 (0.39) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL29274071 0.92 SLC1A2 (0.39) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL28025146 0.85 NOS1 (0.40) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL3204138 0.84 SLC7A5 (0.42) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL7814662 0.83 NOS1 (0.37) SLC7A5NOS1NOS3NOS2ALDH1A1
SCHEMBL31733944 0.83 NOS1 (0.37) SLC7A5NOS1NOS3NOS2ALDH1A1
SCHEMBL27656864 0.83 KMT2A (0.39) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL4106257 0.83 KMT2A (0.39) SLC7A5SLC1A2SLC1A3SLC1A1NOS1
SCHEMBL1066621 0.83 KMT2A (0.39) SLC7A5SLC1A2SLC1A3SLC1A1NOS1

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
EP-1831241-A2 METHOD FOR SOLID-PHASE PEPTIDE SYNTHESIS AND PURIFICATION AplaGen GmbH (DE) 2007-09-12 EP disclosed
WO-2006056443-A2 METHOD FOR SOLID-PHASE PEPTIDE SYNTHESIS AND PURIFICATION APLAGEN GMBH (DE) 2006-06-01 WO disclosed