SCHEMBL8095253

SCHEMBL8095253

CC(C)(C(=O)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)OBO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
MMP8 P22894 4/20 0.38
OPRK1 P41145 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
CTSK P43235 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.34
TPSAB1 Q15661 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL8083527 0.89 RIPK1 (0.40) RIPK1MMP8OPRK1L3MBTL1MAPT
SCHEMBL7433686 0.81 F2 (0.46) RIPK1MMP8OPRK1POLB
SCHEMBL8098103 0.81 RIPK1 (0.51) RIPK1MMP8OPRK1POLBSMN1; SMN2
SCHEMBL8095454 0.80 MMP8 (0.37) MMP8L3MBTL1MAPTEPHX2TPSAB1
SCHEMBL8091532 0.78 MMP8 (0.36) MMP8L3MBTL1MAPTEPHX2TPSAB1
SCHEMBL8095158 0.78 MMP8 (0.36) MMP8L3MBTL1MAPTEPHX2TPSAB1
SCHEMBL8091531 0.77 MMP8 (0.35) MMP8L3MBTL1MAPTEPHX2TPSAB1
SCHEMBL7438276 0.75 F2 (0.38) RIPK1MMP8OPRK1L3MBTL1MAPT
SCHEMBL7438271 0.75 F2 (0.43) RIPK1OPRK1
SCHEMBL8091386 0.75 RIPK1 (0.43) RIPK1MMP8OPRK1L3MBTL1MAPT

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed