SCHEMBL3820797

SCHEMBL3820797

CN(C(=O)OC(C)(C)C)[C@H](C[Si](C)(C)C)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.36
REN P00797 1/20 0.36
AAK1 Q2M2I8 2/20 0.34
CTSS P25774 13/20 0.34
CTSK P43235 11/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33

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
SCHEMBL5203899 0.80 REN (0.43) RENCTSLCTSB
SCHEMBL14190234 0.76 CTSS (0.47) CTSSCTSKCTSLCTSB
SCHEMBL2367189 0.75 CTSK (0.48) CTSSCTSKCTSLCTSB
SCHEMBL903742 0.75 CTSK (0.48) CTSSCTSKCTSLCTSB
SCHEMBL2367381 0.75 CTSK (0.48) CTSSCTSKCTSLCTSB
SCHEMBL30522764 0.74 AAK1 (0.47) MMP13RENAAK1CTSSCTSK
SCHEMBL3820796 0.74 CTSK (0.39) CTSSCTSKCTSLCTSB
SCHEMBL3826123 0.73 AAK1 (0.46) MMP13RENAAK1CTSSCTSK
SCHEMBL27032849 0.73 AAK1 (0.46) MMP13RENAAK1CTSSCTSK
SCHEMBL27128436 0.73 AAK1 (0.46) MMP13RENAAK1CTSSCTSK

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