SCHEMBL8095058

SCHEMBL8095058

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.43
EPHX2 P34913 1/20 0.43
MMP8 P22894 2/20 0.42
F2 P00734 5/20 0.39
TPSAB1 Q15661 2/20 0.39
HPGD P15428 1/20 0.38
SLC6A4 P31645 1/20 0.37
PROC P04070 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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 0.96 EPHX2 (0.41) SPHK1EPHX2MMP8F2TPSAB1
SCHEMBL8083551 0.96 EPHX2 (0.41) SPHK1EPHX2MMP8F2TPSAB1
SCHEMBL8083486 0.95 EPHX2 (0.41) SPHK1EPHX2MMP8F2TPSAB1
SCHEMBL8095062 0.87 MMP8 (0.48) SPHK1EPHX2MMP8F2TPSAB1
SCHEMBL8089916 0.86 MMP8 (0.44) SPHK1EPHX2MMP8F2
SCHEMBL8096623 0.85 MC4R (0.39) F2TPSAB1
SCHEMBL8083456 0.82 MMP8 (0.46) SPHK1EPHX2MMP8F2TPSAB1
SCHEMBL8083554 0.82 MMP8 (0.46) SPHK1EPHX2MMP8F2TPSAB1
SCHEMBL8083488 0.81 MMP8 (0.45) SPHK1EPHX2MMP8F2HPGD
SCHEMBL8091412 0.79 ALDH1A1 (0.34) F2PROC

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