SCHEMBL3070832

SCHEMBL3070832

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
CTSL P07711 2/20 0.33
BACE1 P56817 3/20 0.33
REN P00797 1/20 0.32
CTSS P25774 3/20 0.32
CTSC P53634 1/20 0.31
LAP3 P28838 2/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL3194458 0.91 BACE1 (0.39) BACE1REN
SCHEMBL2108033 0.88 MMP2 (0.37) MMP2MMP9MMP8CTSLCTSS
SCHEMBL2108028 0.88 MMP2 (0.37) MMP2MMP9MMP8CTSLCTSS
SCHEMBL30683244 0.80 ALDH1A1 (0.42) MMP2MMP9MMP8BACE1LAP3
SCHEMBL2184616 0.80 MMP2 (0.39) MMP2MMP9MMP8CTSLCTSS
SCHEMBL28082201 0.80 MMP2 (0.39) MMP2MMP9MMP8CTSLCTSS
SCHEMBL11568997 0.80 PSMB11 (0.34) BACE1CTSC
SCHEMBL11568991 0.80 PSMB11 (0.34) BACE1CTSC
SCHEMBL1795666 0.79 SLC7A5 (0.40) CTSC
SCHEMBL8863575 0.79 SLC7A5 (0.40) CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed