SCHEMBL2367498

SCHEMBL2367498

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CTRB1 P17538 3/20 0.45
CTSK P43235 6/20 0.45
LTA4H P09960 1/20 0.44
MME P08473 1/20 0.42
ANPEP P15144 1/20 0.42
CTSB P07858 1/20 0.42
CARM1 Q86X55 1/20 0.42
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL2367418 0.90 CTSS (0.44) CTSSCTSLCTSKMMEANPEP
SCHEMBL2367197 0.90 CTSS (0.44) CTSSCTSLCTSKMMEANPEP
SCHEMBL2367196 0.87 CTSC (0.45) CTSSCTSLCTRB1CTSKMME
SCHEMBL2367512 0.87 CTSL (0.41) CTSSCTSLCTSKMMEANPEP
SCHEMBL2367824 0.86 CTSK (0.43) CTSSCTSLCTSKCTSB
Trifluoroacetic Acid SCHEMBL30168522 0.86 MME (0.53) CTSSCTSLCTRB1CTSKMME
Trifluoroacetic Acid SCHEMBL30168523 0.86 MME (0.53) CTSSCTSLCTRB1CTSKMME
SCHEMBL2367378 0.85 PSMB1 (0.41) CTSSCTSLCTSKLTA4HMME
SCHEMBL2367415 0.83 CTSS (0.44) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL2367398 0.83 CTSS (0.44) CTSSCTSLCTSKIL1RNERAP2

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