SCHEMBL8091462

SCHEMBL8091462

NCCC[C@H](NC(=O)C1(C(=O)NCc2ccccc2)CC1)B(O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.50
F10 P00742 5/20 0.45
PLG P00747 6/20 0.44
PLAT P00750 6/20 0.44
PRSS1 P07477 5/20 0.44
MMP8 P22894 1/20 0.43
SLC6A4 P31645 1/20 0.40
PSMB5 P28074 1/20 0.40

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
SCHEMBL8091458 1.00 F2 (0.50) F2F10PLGPLATPRSS1
SCHEMBL7443009 0.92 F2 (0.44) F2F10PLGPLATPRSS1
SCHEMBL7440257 0.88 F2 (0.43) F2F10PLGPLATPRSS1
SCHEMBL7448489 0.88 F2 (0.43) F2F10PLGPLATPRSS1
SCHEMBL7440263 0.88 F2 (0.43) F2F10PLGPLATPRSS1
SCHEMBL7432914 0.87 F2 (0.42) F2F10PLGPLATPRSS1
SCHEMBL26616877 0.84 CTRB1 (0.55) MMP8PSMB5
SCHEMBL26616870 0.84 CTRB1 (0.55) MMP8PSMB5
SCHEMBL7434149 0.84 MMP8 (0.41) F2F10MMP8PSMB5
SCHEMBL7434145 0.84 MMP8 (0.41) F2F10MMP8PSMB5

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