SCHEMBL11433447

SCHEMBL11433447

CC(C)CC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ CTSK P43235 4/20 0.41
▸ CTSB P07858 3/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ RNPEP Q9H4A4 1/20 0.40
▸ DNPEP Q9ULA0 1/20 0.40
▸ SLC15A1 P46059 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ CAPN1 P07384 1/20 0.38

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
SCHEMBL10909146 0.94 CTSK (0.40) SLC1A1SLC1A3CTSKCTSBCTSL
SCHEMBL10443784 0.91 SLC15A1 (0.46) SLC1A1SLC1A3CTSKCTSBCTSL
SCHEMBL999188 0.86 CTSK (0.47) CTSKCTSBCTSLCTSSALDH1A1
SCHEMBL27809385 0.86 ANPEP (0.48) SLC1A1SLC1A3CTSKCTSBCTSL
SCHEMBL27715040 0.83 ANPEP (0.40) SLC1A1SLC1A3CTSKCTSBCTSL
SCHEMBL15558106 0.83 LAP3 (0.48) CTSKCTSBCTSLCTSSANPEP
SCHEMBL18174177 0.83 ALDH1A1 (0.47) CTSKCTSBCTSLCTSSALDH1A1
SCHEMBL30254757 0.82 SLC15A1 (0.40) SLC1A1SLC1A3CTSKCTSBCTSL
SCHEMBL8744670 0.82 SLC1A3 (0.41) SLC1A1SLC1A3CTSKCTSBCTSL
SCHEMBL10537523 0.82 CTSK (0.44) CTSKCTSBCTSLCTSSSLC15A1

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
US-4216209-A Tripeptide angiotensin converting enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1980-08-05 — — US disclosed
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