SCHEMBL8937067

SCHEMBL8937067

C[C@@H](OC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](N)C(=O)OC(=O)CN.N[C@@H](COC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
MME P08473 3/20 0.33
PCNA P12004 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
SLC6A2 P23975 1/20 0.32
FOLH1 Q04609 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 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
Glutamine SCHEMBL2004297 0.90 SLC7A5 (0.35) SLC7A5
SCHEMBL8503631 0.86 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL4575524 0.85 SLC7A5 (0.56) SLC7A5PCNATAAR1SLC6A2ALPI
Asparagine SCHEMBL6514870 0.83 SLC7A5 (0.37) SLC7A5
Glutamine SCHEMBL1900122 0.83 SLC7A5 (0.37) SLC7A5
Glutamine SCHEMBL7762258 0.82
Tyrosine SCHEMBL3789571 0.81 SLC7A5 (0.58) SLC7A5MMEPCNATAAR1SLC6A2
Tyrosine SCHEMBL1853951 0.81 SLC7A5 (0.61) SLC7A5PCNAITGB3ITGA2BALPI
Tyrosine SCHEMBL12276638 0.81 SLC7A5 (0.50) SLC7A5PCNATAAR1SLC6A2ITGB3
SCHEMBL15555538 0.78 SLC7A5 (0.48) SLC7A5PCNATAAR1SLC6A2ITGB3

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-1996029406-A2 NUCLEAR LOCALIZATION FACTOR ASSOCIATED WITH CIRCADIAN RHYTHMS THE ROCKEFELLER UNIVERSITY (US) 1996-09-26 WO disclosed