SCHEMBL8090189

SCHEMBL8090189

N=C(N)NCCC[C@H](NC(=O)C1(C(=O)NCCc2ccccc2)CCCC1)OBO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.37
SPHK1 Q9NYA1 5/20 0.37
F2 P00734 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
F10 P00742 2/20 0.34
MME P08473 2/20 0.33
EPHX1 P07099 1/20 0.33
PRSS1 P07477 1/20 0.33
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8095221 0.96 MMP8 (0.41) MMP8SPHK1CYP2C19F10MME
SCHEMBL8090174 0.94 F2 (0.39) MMP8SPHK1F2CYP3A4CYP2C19
SCHEMBL8095286 0.93 NPY4R (0.38) MMEKDM4E
SCHEMBL8095158 0.92 MMP8 (0.36) MMP8SPHK1F2
SCHEMBL8091531 0.91 MMP8 (0.35) MMP8SPHK1F2
SCHEMBL8091532 0.90 MMP8 (0.36) MMP8SPHK1F2
SCHEMBL8095211 0.90 MMP8 (0.42) MMP8SPHK1CYP2C19F10MME
SCHEMBL8098074 0.90 EPHX1 (0.35) EPHX1MEN1KMT2A
SCHEMBL8095467 0.89 CYP3A4 (0.38) MMP8F2CYP3A4CYP2C19F10
SCHEMBL8091593 0.88 MTNR1A (0.41)

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