SCHEMBL5328622

SCHEMBL5328622

CC(C)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@@H](N)CC(Cc1ccccc1)C(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ DNPEP Q9ULA0 1/20 0.41
▸ APP P05067 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ ACE P12821 5/20 0.37
▸ MME P08473 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ REN P00797 1/20 0.37

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
SCHEMBL7269530 0.81 SLC7A5 (0.45) SLC1A3SLC1A2SLC1A1ANPEPRNPEP
SCHEMBL3489862 0.77 ANPEP (0.47) SLC1A3SLC1A2SLC1A1ANPEPRNPEP
SCHEMBL3184863 0.76 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1ANPEPRNPEP
SCHEMBL8826726 0.74 OPRK1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL3023106 0.73 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ANPEPRNPEP
SCHEMBL11522838 0.73 MMP9 (0.41) SLC1A1REN
SCHEMBL11597753 0.72 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ANPEPRNPEP
SCHEMBL11568492 0.72 BACE1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29706304 0.72 CTSD (0.47) ACEREN
SCHEMBL11047397 0.72 SLC7A5 (0.48) SLC1A3SLC1A2SLC1A1ACELTA4H

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-2007139430-A1 PEPTIDE SUBSTANCE STIMULATING LIVER TISSUE REGENERATION, PHARMACEUTICAL COMPOSITION ON ITS BASE AND THE METHOD OF ITS APPLICATION OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTYU 'SIA PEPTIDES' (RU) 2007-12-06 — — WO disclosed
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