SCHEMBL2367014

SCHEMBL2367014

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.40
PSMB5 P28074 1/20 0.39
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ACE P12821 1/20 0.39
CTSL P07711 3/20 0.38
CTSS P25774 2/20 0.38
MBTPS1 Q14703 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
CTSK P43235 3/20 0.36
TACR1 P25103 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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 0.92 ACE (0.45) ACECTSLCTSSMBTPS1POLB
SCHEMBL2367484 0.90 PSMB8 (0.42) PSMB5ACECTSLCTSSMBTPS1
Trifluoroacetic Acid SCHEMBL27766499 0.89 QRFPR (0.44) QRFPRPSMB5ACECTSLCTSS
SCHEMBL2367824 0.88 CTSK (0.43) PSMB5CTSLCTSSCTSK
SCHEMBL12294448 0.87 QRFPR (0.46) QRFPRIL1RNERAP2ERAP1ACE
Trifluoroacetic Acid SCHEMBL27766652 0.85 CTSL (0.48) QRFPRACECTSLCTSSMBTPS1
SCHEMBL2367415 0.85 CTSS (0.44) PSMB5IL1RNERAP2ERAP1CTSL
SCHEMBL2367398 0.85 CTSS (0.44) PSMB5IL1RNERAP2ERAP1CTSL
SCHEMBL2367512 0.85 CTSL (0.41) PSMB5IL1RNERAP2ERAP1CTSL
SCHEMBL2367297 0.82 MME (0.35) QRFPR

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