SCHEMBL5045559

SCHEMBL5045559

COC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@@H](C[Si](C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.43
CTSS P25774 10/20 0.43
CTSL P07711 3/20 0.41
CTSB P07858 2/20 0.41
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL13723330 0.92 CTSK (0.40) CTSKCTSSCTSLCTSBGSTP1
SCHEMBL14190234 0.87 CTSS (0.47) CTSKCTSSCTSLCTSB
SCHEMBL13722720 0.82 CTSS (0.44) CTSKCTSSCTSLCTSB
SCHEMBL23059046 0.80 CTSK (0.60) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2367071 0.80 KLK5 (0.48) CTSKCTSSCTSLCTSBKLK5
SCHEMBL27683505 0.80 KLK5 (0.48) CTSKCTSSCTSLCTSBKLK5
SCHEMBL13323781 0.80 KLK5 (0.48) CTSKCTSSCTSLCTSBKLK5
SCHEMBL903742 0.80 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL2367381 0.80 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL2367189 0.80 CTSK (0.48) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed