SCHEMBL2367341

SCHEMBL2367341

NCC(=O)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 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
CTSL P07711 2/20 0.45
MBTPS1 Q14703 1/20 0.44
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.44
TACR1 P25103 3/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MME P08473 1/20 0.41
ANPEP P15144 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
KDM1B Q8NB78 1/20 0.41
RCOR1 Q9UKL0 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
SCHEMBL2367014 0.92 QRFPR (0.40) ACECTSLMBTPS1POLBTACR1
SCHEMBL2367484 0.90 PSMB8 (0.42) ACECTSLMBTPS1POLBPTPN1
SCHEMBL2367824 0.88 CTSK (0.43) CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL27766652 0.87 CTSL (0.48) ACECTSLMBTPS1POLBPTPN1
SCHEMBL2367415 0.85 CTSS (0.44) CTSLCTSSCTSK
SCHEMBL2367398 0.85 CTSS (0.44) CTSLCTSSCTSK
SCHEMBL2367196 0.85 CTSC (0.45) ACECTSLPOLBTACR1CTSB
SCHEMBL12292738 0.83 ACE (0.51) ACECTSLMBTPS1POLBTACR1
Trifluoroacetic Acid SCHEMBL27766499 0.83 QRFPR (0.44) ACECTSLMBTPS1POLBTACR1
SCHEMBL30516239 0.82 ACE (0.62) ACEMBTPS1POLBTACR1MME

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