SCHEMBL5336503

SCHEMBL5336503

CN[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H]([C]=O)CC(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 5/20 0.31
▸ CTSK P43235 3/20 0.31
▸ CTSL P07711 2/20 0.31
▸ CTSS P25774 2/20 0.31
▸ CTSD P07339 2/20 0.31
▸ CTSE P14091 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30

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
SCHEMBL15518242 1.00 CTSB (0.31) CTSBCTSKCTSLCTSSCTSD
SCHEMBL15864776 0.83 SLC7A5 (0.34) CTSD
SCHEMBL21843036 0.80 BACE1 (0.36) CTSBCTSKCTSDCTSEBACE1
SCHEMBL16549357 0.79 BACE1 (0.38) CTSBCTSDCTSEBACE1
SCHEMBL16549401 0.79 BACE1 (0.38) CTSBCTSDCTSEBACE1
SCHEMBL31634286 0.77 ALDH1A1 (0.41) CTSDCTSEBACE1ALDH1A1
SCHEMBL16549396 0.77 ALDH1A1 (0.33) CTSBCTSKCTSDCTSEBACE1
SCHEMBL31634285 0.76 ALDH1A1 (0.40) CTSDCTSEBACE1ALDH1A1
SCHEMBL27742237 0.76 BACE1 (0.39) CTSDCTSEBACE1
SCHEMBL30522092 0.76 ALDH1A1 (0.35) CTSBCTSKALDH1A1CACNA1B

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-1868582-A1 NANOPARTICULATE AND CONTROLLED RELEASE COMPOSITIONS COMPRISING CYCLOSPORINE Elan Pharma International Limited (IE) 2007-12-26 — — EP disclosed
WO-2006110802-A1 NANOPARTICULATE AND CONTROLLED RELEASE COMPOSITIONS COMPRISING CYCLOSPORINE ELAN PHARMA INTERNATIONAL LIMITED (IE) 2006-10-19 — — WO disclosed
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