SCHEMBL2367196

SCHEMBL2367196

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.45
OPRK1 P41145 2/20 0.44
TACR1 P25103 3/20 0.44
MME P08473 1/20 0.44
ANPEP P15144 1/20 0.44
CTSL P07711 3/20 0.43
POLB P06746 1/20 0.42
SLC15A1 P46059 1/20 0.42
CTRB1 P17538 1/20 0.41
ACE P12821 1/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL2367512 0.91 CTSL (0.41) MMEANPEPCTSLPOLBCTSS
SCHEMBL2367378 0.89 PSMB1 (0.41) MMEANPEPCTSLPOLBCTSS
SCHEMBL2367498 0.87 CTSS (0.46) MMEANPEPCTSLCTRB1CTSS
SCHEMBL2367341 0.85 ACE (0.45) TACR1MMEANPEPCTSLPOLB
SCHEMBL2367197 0.84 CTSS (0.44) MMEANPEPCTSLCTSSCTSB
SCHEMBL2367418 0.84 CTSS (0.44) MMEANPEPCTSLCTSSCTSB
SCHEMBL8673841 0.84 TACR1 (0.59) CTSCOPRK1TACR1MMEANPEP
SCHEMBL28490041 0.84 TACR1 (0.59) CTSCOPRK1TACR1MMEANPEP
SCHEMBL16984799 0.84 CTSC (0.47) CTSCOPRK1TACR1MMEANPEP
Trifluoroacetic Acid SCHEMBL10443782 0.83 CTSK (0.54) CTSLCTSSCTSBCTSK

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