SCHEMBL2367418

SCHEMBL2367418

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.44
CTSL P07711 3/20 0.44
CTSK P43235 6/20 0.42
ATM Q13315 1/20 0.41
IL1RN P18510 2/20 0.41
ERAP2 Q6P179 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
MME P08473 1/20 0.41
ANPEP P15144 1/20 0.41
CTSB P07858 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL2367197 1.00 CTSS (0.44) CTSSCTSLCTSKATMIL1RN
SCHEMBL2367498 0.90 CTSS (0.46) CTSSCTSLCTSKATMIL1RN
SCHEMBL2367398 0.85 CTSS (0.44) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL2367415 0.85 CTSS (0.44) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL2367512 0.84 CTSL (0.41) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL2367196 0.84 CTSC (0.45) CTSSCTSLCTSKMMEANPEP
SCHEMBL2367824 0.83 CTSK (0.43) CTSSCTSLCTSKCTSB
SCHEMBL12292722 0.83 ALDH1A1 (0.48) CTSSCTSLCTSKATMIL1RN
SCHEMBL12292724 0.83 ALDH1A1 (0.48) CTSSCTSLCTSKATMIL1RN
SCHEMBL2367378 0.83 PSMB1 (0.41) CTSSCTSLCTSKMMEANPEP

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