SCHEMBL2367484

SCHEMBL2367484

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB1 P20618 1/20 0.40
MME P08473 1/20 0.40
ECE1 P42892 1/20 0.40
PTPN1 P18031 3/20 0.39
POLB P06746 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPRA P18433 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
ACE P12821 1/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 1/20 0.37
MBTPS1 Q14703 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP3 P08254 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL2367341 0.90 ACE (0.45) MMEPTPN1POLBACECTSL
SCHEMBL2367014 0.90 QRFPR (0.40) PSMB5POLBACECTSLCTSS
SCHEMBL2367824 0.86 CTSK (0.43) PSMB8PSMB5CTSLCTSS
SCHEMBL2367378 0.85 PSMB1 (0.41) PSMB8PSMB5PSMB1MMEECE1
SCHEMBL13723566 0.84 MME (0.44) PSMB8PSMB5PSMB1MMEECE1
SCHEMBL2367415 0.83 CTSS (0.44) PSMB8PSMB5CTSLCTSS
SCHEMBL2367398 0.83 CTSS (0.44) PSMB8PSMB5CTSLCTSS
SCHEMBL2367498 0.80 CTSS (0.46) MMECTSLCTSSMEN1KMT2A
Trifluoroacetic Acid SCHEMBL27766499 0.79 QRFPR (0.44) PSMB5POLBACECTSLCTSS
SCHEMBL2367196 0.79 CTSC (0.45) MMEPOLBACECTSLCTSS

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