SCHEMBL6423730

SCHEMBL6423730

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1Br

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSK P43235 2/20 0.54
CTSB P07858 1/20 0.54
ELANE P08246 2/20 0.44
PREP P48147 1/20 0.44
CMA1 P23946 9/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
BACE1 P56817 1/20 0.41
CTSS P25774 1/20 0.40

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
SCHEMBL6427701 0.83 CTSL (0.49) CTSLCTSKCTSBELANEPREP
SCHEMBL6424293 0.83 CTSL (0.49) CTSLCTSKCTSBELANEPREP
SCHEMBL27629823 0.83 CTSL (0.49) CTSLCTSKCTSBELANEPREP
SCHEMBL4192198 0.83 CTSL (0.49) CTSLCTSKCTSBELANEPREP
SCHEMBL6294320 0.82 CTSL (0.53) CTSLCTSKCTSBELANEPREP
SCHEMBL13885550 0.82 CTSL (0.53) CTSLCTSKCTSBELANEPREP
SCHEMBL8168155 0.80 CMA1 (0.61) CTSLCTSKCTSBELANECMA1
SCHEMBL4445986 0.80 CMA1 (0.61) CTSLCTSKCTSBELANECMA1
SCHEMBL17378396 0.80 CMA1 (0.61) CTSLCTSKCTSBELANECMA1
SCHEMBL13258959 0.80 CMA1 (0.51) CTSLCTSKCTSBELANECMA1

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-1534678-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS Sandoz AG (CH) 2005-06-01 EP disclosed
WO-2004011431-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS SANDOZ AG (CH) 2004-02-05 WO disclosed