SCHEMBL8091532

SCHEMBL8091532

N=C(N)NCCC[C@H](NC(=O)C1(C(=O)NCc2ccccc2)CCC1)OBO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
F2 P00734 4/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34
TPSAB1 Q15661 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
SPHK1 Q9NYA1 4/20 0.33
ATM Q13315 2/20 0.33
PROC P04070 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
SCHEMBL8095158 0.98 MMP8 (0.36) MMP8F2HPGDL3MBTL1EPHX2
SCHEMBL8091531 0.97 MMP8 (0.35) MMP8F2L3MBTL1EPHX2MAPT
SCHEMBL8095454 0.96 MMP8 (0.37) MMP8F2HPGDL3MBTL1EPHX2
SCHEMBL8091528 0.94 F2 (0.37) MMP8F2HPGDL3MBTL1EPHX2
SCHEMBL8095146 0.92 F2 (0.37) MMP8F2HPGDL3MBTL1EPHX2
SCHEMBL8091524 0.91 F2 (0.37) MMP8F2HPGDL3MBTL1EPHX2
SCHEMBL8095221 0.90 MMP8 (0.41) MMP8L3MBTL1EPHX2SPHK1
SCHEMBL8090189 0.90 MMP8 (0.37) MMP8F2SPHK1
SCHEMBL8095448 0.90 MMP8 (0.38) MMP8F2HPGDL3MBTL1EPHX2
SCHEMBL8090156 0.88 MMP8 (0.39) MMP8F2HPGDL3MBTL1MAPT

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