SCHEMBL9829685

SCHEMBL9829685

CC(C)CC(NC(=O)c1ccccc1)C(=O)NC(C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.67
CTSB P07858 4/20 0.67
CTSK P43235 4/20 0.67
CTSS P25774 3/20 0.67
PSMB5 P28074 2/20 0.56
POLB P06746 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
ACE P12821 4/20 0.51

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
SCHEMBL9829689 1.00 CTSL (0.67) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL2158900 0.86 CTSL (0.67) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL2158906 0.86 CTSL (0.67) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL4465251 0.86 CTSL (0.67) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL9830316 0.86 CTSL (0.64) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL9830319 0.86 CTSL (0.64) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL9828850 0.85 CTSS (0.64) CTSLCTSBCTSKCTSS
SCHEMBL9828862 0.85 CTSS (0.64) CTSLCTSBCTSKCTSS
SCHEMBL23470237 0.85 CTSL (0.70) CTSLCTSBCTSKCTSSPSMB5
SCHEMBL7318555 0.84 PSMB5 (0.65) CTSLCTSBCTSKCTSSPSMB5

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed