SCHEMBL17381409

SCHEMBL17381409

CC(C)(C)OCC(NS(=O)(=O)CC1C=CC=CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(/C(N)=N/O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.38
▸ NFKB1 P19838 4/20 0.38
▸ NFKB2 Q00653 4/20 0.38
▸ RELA Q04206 4/20 0.38
▸ MASP2 O00187 3/20 0.37
▸ F2 P00734 8/20 0.37
▸ KLKB1 P03952 3/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PROC P04070 1/20 0.37
▸ TMPRSS6 Q8IU80 6/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MMP3 P08254 2/20 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
SCHEMBL18875515 0.87 F2 (0.45) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL17381407 0.79 F2 (0.44) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL17381408 0.78 F2 (0.53) MASP2F2KLKB1F10PLG
SCHEMBL17366097 0.75 F2 (0.49) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL18875317 0.75 F2 (0.49) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL18878673 0.74 F10 (0.50) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL20117570 0.72 MASP2 (0.45) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL8354790 0.71 F2 (0.49) F2KLKB1F10PLGPROC
SCHEMBL8358318 0.70 F2 (0.51) F2KLKB1F10PLGPROC
SCHEMBL20117569 0.70 MASP2 (0.43) PSMB5NFKB1NFKB2RELAMASP2

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
WO-2015197309-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2015-12-30 — — WO disclosed
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