SCHEMBL9830711

SCHEMBL9830711

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
MME P08473 3/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
GRN P28799 2/20 0.51
SORT1 Q99523 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 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
SCHEMBL9830704 1.00 CTSL (0.56) CTSLCTSBCTSSCTSKMME
SCHEMBL4465251 0.87 CTSL (0.67) CTSLCTSBCTSSCTSKMME
SCHEMBL2158906 0.87 CTSL (0.67) CTSLCTSBCTSSCTSKMME
SCHEMBL2158900 0.87 CTSL (0.67) CTSLCTSBCTSSCTSKMME
SCHEMBL27989559 0.86 CASP3 (0.54) MMEKMT2AALDH1A1CA2CA1
SCHEMBL11318126 0.86 CTSL (0.51) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL9002994 0.85 ERAP2 (0.51) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL31294431 0.84 KMT2A (0.52) KMT2AALDH1A1CA2CA1MEN1
SCHEMBL9830319 0.83 CTSL (0.64) CTSLCTSBCTSSCTSKMME
SCHEMBL9830316 0.83 CTSL (0.64) CTSLCTSBCTSSCTSKMME

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 4 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
US-4257940-A Valylleucyllysine derivatives, process for producing same and method for measuring activity of enzymes using same TORII & CO., LTD. (JP) 1981-03-24 US disclosed