SCHEMBL8095211

SCHEMBL8095211

N=C(N)NCCCC(NC(=O)C1(C(=O)NCCCc2ccccc2)CCCC1)OBOC(CCCNC(=N)N)NC(=O)C1(C(=O)NCCCc2ccccc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.42
SPHK1 Q9NYA1 5/20 0.39
MME P08473 2/20 0.37
EPHX2 P34913 4/20 0.37
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL8090174 0.96 F2 (0.39) MMP8SPHK1MMEF10CYP2C19
SCHEMBL8095221 0.94 MMP8 (0.41) MMP8SPHK1MMEEPHX2F10
SCHEMBL8095146 0.92 F2 (0.37) MMP8SPHK1EPHX2L3MBTL1
SCHEMBL8091524 0.91 F2 (0.37) MMP8SPHK1EPHX2L3MBTL1
SCHEMBL8090189 0.90 MMP8 (0.37) MMP8SPHK1MMEF10PRSS1
SCHEMBL8091528 0.90 F2 (0.37) MMP8SPHK1EPHX2L3MBTL1
SCHEMBL8098087 0.90 MMP8 (0.44) MMP8MMEEPHX2CYP2D6CYP2C9
SCHEMBL8095279 0.89 NPY4R (0.38)
SCHEMBL8095448 0.88 MMP8 (0.38) MMP8SPHK1EPHX2L3MBTL1
SCHEMBL8098206 0.87 C3AR1 (0.35) EPHX2

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