SCHEMBL8095146

SCHEMBL8095146

N=C(N)NCCCC(NC(=O)C1(C(=O)NCc2ccccc2)CCCC1)OBOC(CCCNC(=N)N)NC(=O)C1(C(=O)NCc2ccccc2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
MMP8 P22894 1/20 0.36
PROC P04070 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
TPSAB1 Q15661 2/20 0.35
EPHX1 P07099 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
SPHK1 Q9NYA1 4/20 0.34
ATM Q13315 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL8091524 0.99 F2 (0.37) F2MMP8PROCEPHX2L3MBTL1
SCHEMBL8091528 0.98 F2 (0.37) F2MMP8PROCEPHX2L3MBTL1
SCHEMBL8095448 0.96 MMP8 (0.38) F2MMP8EPHX2L3MBTL1MAPT
SCHEMBL8095158 0.94 MMP8 (0.36) F2MMP8PROCEPHX2L3MBTL1
SCHEMBL8091531 0.93 MMP8 (0.35) F2MMP8PROCEPHX2L3MBTL1
SCHEMBL8090174 0.92 F2 (0.39) F2MMP8EPHX1SPHK1
SCHEMBL8091532 0.92 MMP8 (0.36) F2MMP8PROCEPHX2L3MBTL1
SCHEMBL8095211 0.92 MMP8 (0.42) MMP8EPHX2L3MBTL1SPHK1
SCHEMBL8095454 0.90 MMP8 (0.37) F2MMP8EPHX2L3MBTL1MAPT
SCHEMBL8098206 0.88 C3AR1 (0.35) EPHX2TPSAB1

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