SCHEMBL8098099

SCHEMBL8098099

CC(C)(C(=O)N[CH]CCCNC(=N)N)C(=O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
POLB P06746 1/20 0.43
EPHX2 P34913 3/20 0.41
MMP8 P22894 6/20 0.41
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8098103 0.87 RIPK1 (0.51) RIPK1POLBEPHX2MMP8OPRK1
SCHEMBL8095232 0.87 RIPK1 (0.45) RIPK1POLBEPHX2MMP8OPRK1
SCHEMBL8095058 0.76 SPHK1 (0.43) EPHX2MMP8
SCHEMBL7433686 0.76 F2 (0.46) RIPK1POLBMMP8OPRK1
SCHEMBL10936025 0.76 RIPK1 (0.63) RIPK1MMP8OPRK1SMN1; SMN2LMNA
SCHEMBL8095236 0.75 RIPK1 (0.52) RIPK1POLBEPHX2MMP8OPRK1
SCHEMBL8083449 0.75 EPHX2 (0.41) EPHX2MMP8
SCHEMBL8083551 0.75 EPHX2 (0.41) EPHX2MMP8
SCHEMBL8083486 0.74 EPHX2 (0.41) EPHX2MMP8
SCHEMBL8095253 0.74 RIPK1 (0.39) RIPK1POLBEPHX2MMP8OPRK1

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 4 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 claimed
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 claimed
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