SCHEMBL9369693

SCHEMBL9369693

CCCC[C@@H]([C@@H](O)[C@H](O)[C@H](CCCC)N(NC(=O)OCc1ccccc1)C(=O)[C@@H](N)C(C)C)N(NC(=O)OCc1ccccc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.44
CTSS P25774 4/20 0.44
SLC15A1 P46059 1/20 0.43
LNPEP Q9UIQ6 2/20 0.41
ERAP2 Q6P179 1/20 0.41
CTSK P43235 4/20 0.40
CTSB P07858 3/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PRTN3 P24158 1/20 0.39

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
SCHEMBL9364548 0.86 CTSK (0.45) CTSLCTSSSLC15A1CTSKCTSB
SCHEMBL7476658 0.86 SLC15A1 (0.46) CTSLCTSSSLC15A1CTSKCTSB
SCHEMBL9364447 0.81 LNPEP (0.40) CTSLCTSSSLC15A1LNPEPERAP2
SCHEMBL9365216 0.78 CTSK (0.46) CTSLCTSSCTSKCTSBSLC1A3
SCHEMBL9011869 0.74 CTSL (0.49) CTSLCTSSLNPEPCTSKCTSB
SCHEMBL9364449 0.74 SLC15A1 (0.45) SLC15A1
SCHEMBL9364872 0.73 NAAA (0.38) CTSLCTSSSLC15A1LNPEPERAP2
SCHEMBL5501379 0.71 CTSL (0.61) CTSLCTSSCTSKCTSB
SCHEMBL7266217 0.71 ALDH1A1 (0.52) CTSLCTSSLNPEPERAP2SLC1A3
SCHEMBL7266221 0.71 ALDH1A1 (0.52) CTSLCTSSLNPEPERAP2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538396-A4 1994-04-13 EP disclosed
EP-0538396-A1 INHIBITORS OF RETROVIRAL PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000948-A1 INHIBITORS OF RETROVIRAL PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed