SCHEMBL8083554

SCHEMBL8083554

N=C(N)NCCCCNC(=O)C1(C(=O)NCc2ccccc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.46
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.45
F2 P00734 2/20 0.44
SPHK1 Q9NYA1 7/20 0.42
TPSAB1 Q15661 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SLC6A4 P31645 1/20 0.41
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8083456 0.97 MMP8 (0.46) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8083488 0.96 MMP8 (0.45) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8095062 0.95 MMP8 (0.48) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8083551 0.88 EPHX2 (0.41) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8083610 0.88 MMP8 (0.54) MMP8HPGDEPHX2SPHK1EPHX1
SCHEMBL8089921 0.88 MMP8 (0.48) MMP8EPHX2F2SPHK1EPHX1
SCHEMBL8083449 0.85 EPHX2 (0.41) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8083486 0.84 EPHX2 (0.41) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8091528 0.82 F2 (0.37) MMP8HPGDEPHX2F2SPHK1
SCHEMBL8095058 0.82 SPHK1 (0.43) MMP8HPGDEPHX2F2SPHK1

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