SCHEMBL9229566

SCHEMBL9229566

CC(C)CC(N)C(=O)C(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)C(C)C.[N-]=[N+]=CC=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.38
▸ CTSB P07858 4/20 0.35
▸ CTSK P43235 4/20 0.35
▸ CTSL P07711 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ ANPEP P15144 1/20 0.34
▸ RNPEP Q9H4A4 1/20 0.34
▸ DNPEP Q9ULA0 1/20 0.34
▸ SLC1A1 P43005 4/20 0.33
▸ SLC1A3 P43003 3/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL28728547 0.76 SLC15A1 (0.48) SLC15A1CTSBCTSKCTSLCTSS
SCHEMBL8584998 0.73 ANPEP (0.36) SLC15A1CTSBCTSKCTSLCTSS
SCHEMBL9272782 0.73 CTSB (0.39) CTSBCTSKCTSLCTSS
SCHEMBL7807993 0.73 SLC15A1 (0.46) SLC15A1CTSBCTSKCTSLCTSS
SCHEMBL7420644 0.72 ANPEP (0.43) SLC15A1CTSBCTSKCTSLCTSS
SCHEMBL28728469 0.72 SLC15A1 (0.42) SLC15A1ANPEP
SCHEMBL1014662 0.71 CTSB (0.44) CTSBCTSKCTSLCTSSANPEP
SCHEMBL1151902 0.71 CTSB (0.46) SLC15A1CTSBSLC1A1SLC1A3SLC1A2
SCHEMBL28916845 0.71 SLC7A5 (0.43) SLC15A1CTSBCTSKCTSLCTSS
SCHEMBL15263132 0.70 SLC15A1 (0.47) SLC15A1CTSBCTSKCTSLCTSS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037957-A Oliopeptides of glycine diazomethylketone and valine possibly containing proline, arginine and lucine with protective groups GRUBB ANDERS (SE) 1991-08-06 — — US claimed
EP-0418233-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB, Anders (SE) 1991-03-27 — — EP claimed
WO-1988010266-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB ANDERS (SE) 1988-12-29 — — WO claimed
US-5432264-A Polypeptide with cysteine proteinase inhibitor activity, anticancer activity, and antiviral activity/effective against herper simplex/ NOVO NORDISK A/S (DK) 1995-07-11 — — US disclosed
US-5037957-A Oliopeptides of glycine diazomethylketone and valine possibly containing proline, arginine and lucine with protective groups GRUBB ANDERS (SE) 1991-08-06 — — US disclosed
EP-0418233-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB, Anders (SE) 1991-03-27 — — EP disclosed
WO-1988010266-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB ANDERS (SE) 1988-12-29 — — WO disclosed
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