SCHEMBL2367512

SCHEMBL2367512

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MME P08473 1/20 0.40
ANPEP P15144 1/20 0.40
CTSK P43235 4/20 0.39
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
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
CTSB P07858 1/20 0.37

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
SCHEMBL2367196 0.91 CTSC (0.45) CTSLCTSSMMEANPEPCTSK
SCHEMBL2367378 0.89 PSMB1 (0.41) CTSLCTSSMMEANPEPCTSK
SCHEMBL2367498 0.87 CTSS (0.46) CTSLCTSSIL1RNERAP2ERAP1
SCHEMBL2367014 0.85 QRFPR (0.40) CTSLCTSSIL1RNERAP2ERAP1
SCHEMBL2367418 0.84 CTSS (0.44) CTSLCTSSIL1RNERAP2ERAP1
SCHEMBL2367197 0.84 CTSS (0.44) CTSLCTSSIL1RNERAP2ERAP1
SCHEMBL12294438 0.84 ALDH1A1 (0.46) CTSLIL1RNERAP2ERAP1MME
SCHEMBL10825292 0.82 ALDH1A1 (0.56) CTSLCTSSMMEANPEPCTSK
SCHEMBL2367341 0.81 ACE (0.45) CTSLCTSSMMEANPEPCTSK
SCHEMBL2367824 0.81 CTSK (0.43) CTSLCTSSCTSKPSMB5CTSB

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