SCHEMBL8095448

SCHEMBL8095448

N=C(N)NCCCC(NC(=O)C1(C(=O)NCc2ccccc2)CC1)OBOC(CCCNC(=N)N)NC(=O)C1(C(=O)NCc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
SPHK1 Q9NYA1 4/20 0.37
F2 P00734 2/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
TPSAB1 Q15661 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ATM Q13315 2/20 0.35
HPGD P15428 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL8095146 0.96 F2 (0.37) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8091528 0.96 F2 (0.37) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8091524 0.95 F2 (0.37) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8095454 0.93 MMP8 (0.37) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8091532 0.90 MMP8 (0.36) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8095158 0.90 MMP8 (0.36) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8091531 0.89 MMP8 (0.35) MMP8SPHK1F2EPHX2L3MBTL1
SCHEMBL8090174 0.88 F2 (0.39) MMP8SPHK1F2
SCHEMBL8095211 0.88 MMP8 (0.42) MMP8SPHK1EPHX2L3MBTL1
SCHEMBL8098206 0.84 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