SCHEMBL3826896

SCHEMBL3826896

CC(C)(C)C[C@](N)(NC(=O)OCc1ccccc1)C(=O)N[C@@](C)(CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PPARA Q07869 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CTSK P43235 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TACR1 P25103 1/20 0.35
IDO1 P14902 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1153755 0.86 CTSS (0.49) CTSSSYKMEN1KMT2ACTSL
SCHEMBL1152783 0.86 CTSS (0.49) CTSSSYKMEN1KMT2ACTSL
SCHEMBL1152778 0.86 CTSS (0.49) CTSSSYKMEN1KMT2ACTSL
SCHEMBL5048223 0.80 PPARA (0.44) CTSSSYKMEN1KMT2ACTSL
SCHEMBL3826892 0.79 SYK (0.43) CTSSSYKMEN1KMT2ACTSL
SCHEMBL28525877 0.76 MEN1 (0.53) CTSSSYKMEN1KMT2ACTSL
SCHEMBL16970654 0.76 MEN1 (0.53) CTSSSYKMEN1KMT2ACTSL
SCHEMBL5049224 0.76 SMN1; SMN2 (0.38) CTSSSYKMEN1KMT2ACTSL
SCHEMBL5049223 0.76 HTT (0.41) CTSSSYKMEN1KMT2ACTSL
SCHEMBL7679208 0.74 SYK (0.47) CTSSSYKMEN1KMT2ACTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed