SCHEMBL8089916

SCHEMBL8089916

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NCCc2ccccc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.44
SPHK1 Q9NYA1 7/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
F2 P00734 1/20 0.40
EPHX2 P34913 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL8083449 0.91 EPHX2 (0.41) MMP8SPHK1F2EPHX2
SCHEMBL8083486 0.90 EPHX2 (0.41) MMP8SPHK1F2EPHX2EPHX1
SCHEMBL8096021 0.89 CYP1A2 (0.37) MMP8SPHK1
SCHEMBL8089921 0.89 MMP8 (0.48) MMP8SPHK1CYP3A4CYP2C19F2
SCHEMBL8083551 0.88 EPHX2 (0.41) MMP8SPHK1F2EPHX2
SCHEMBL8083492 0.87 MMP8 (0.45) MMP8SPHK1CYP3A4CYP2C19EPHX2
SCHEMBL8083610 0.87 MMP8 (0.54) MMP8SPHK1CYP2C19EPHX2L3MBTL1
SCHEMBL8091411 0.86 MMP8 (0.44) MMP8SPHK1CYP3A4CYP2C19EPHX2
SCHEMBL8095058 0.86 SPHK1 (0.43) MMP8SPHK1F2EPHX2
SCHEMBL8091477 0.83 TBXA2R (0.40) F2EPHX2

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 4 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 claimed
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 claimed
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