SCHEMBL2367378

SCHEMBL2367378

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.41
LTA4H P09960 2/20 0.40
MME P08473 2/20 0.40
ECE1 P42892 1/20 0.40
CTSL P07711 3/20 0.39
CTSS P25774 1/20 0.39
POLB P06746 1/20 0.39
ANPEP P15144 1/20 0.39
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2367196 0.89 CTSC (0.45) MMECTSLCTSSPOLBANPEP
SCHEMBL2367512 0.89 CTSL (0.41) MMECTSLCTSSPOLBANPEP
SCHEMBL2367484 0.85 PSMB8 (0.42) PSMB1MMEECE1CTSLCTSS
SCHEMBL2367498 0.85 CTSS (0.46) LTA4HMMECTSLCTSSANPEP
SCHEMBL9853329 0.83 POLB (0.55) MMEECE1CTSLCTSSPOLB
SCHEMBL12293296 0.83 MME (0.44) PSMB1LTA4HMMEECE1CTSL
SCHEMBL2367197 0.83 CTSS (0.44) MMECTSLCTSSANPEPCTSK
SCHEMBL2367418 0.83 CTSS (0.44) MMECTSLCTSSANPEPCTSK
Hydrochloric Acid SCHEMBL9557063 0.82 POLB (0.54) MMEECE1CTSLCTSSPOLB
Trifluoroacetic Acid SCHEMBL9439517 0.81 PSMB1 (0.52) PSMB1CTSLCTSSCTSK

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-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed