SCHEMBL8083486

SCHEMBL8083486

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NCc2ccccc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
MMP8 P22894 2/20 0.40
F2 P00734 5/20 0.39
PROC P04070 1/20 0.39
SPHK1 Q9NYA1 4/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
TPSAB1 Q15661 2/20 0.37
HPGD P15428 2/20 0.36
EPHX1 P07099 1/20 0.36

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 0.99 EPHX2 (0.41) EPHX2MMP8F2PROCSPHK1
SCHEMBL8083551 0.97 EPHX2 (0.41) EPHX2MMP8F2PROCSPHK1
SCHEMBL8095058 0.95 SPHK1 (0.43) EPHX2MMP8F2PROCSPHK1
SCHEMBL8089916 0.90 MMP8 (0.44) EPHX2MMP8F2SPHK1EPHX1
SCHEMBL8096623 0.88 MC4R (0.39) F2ERCC1ERCC4TPSAB1
SCHEMBL8083488 0.88 MMP8 (0.45) EPHX2MMP8F2PROCSPHK1
SCHEMBL8083456 0.87 MMP8 (0.46) EPHX2MMP8F2PROCSPHK1
SCHEMBL8083554 0.84 MMP8 (0.46) EPHX2MMP8F2SPHK1TPSAB1
SCHEMBL8091412 0.82 ALDH1A1 (0.34) F2PROC
SCHEMBL8095062 0.82 MMP8 (0.48) EPHX2MMP8F2SPHK1TPSAB1

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