SCHEMBL8095232

SCHEMBL8095232

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
EPHX2 P34913 7/20 0.40
POLB P06746 1/20 0.39
MMP8 P22894 2/20 0.37
FAAH O00519 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
PPID Q08752 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
SCHEMBL8095236 0.87 RIPK1 (0.52) RIPK1EPHX2POLBMMP8ALDH1A1
SCHEMBL8098099 0.87 RIPK1 (0.44) RIPK1EPHX2POLBMMP8FAAH
SCHEMBL10937862 0.77 RIPK1 (0.64) RIPK1EPHX2MMP8ALDH1A1MAPT
SCHEMBL8098103 0.75 RIPK1 (0.51) RIPK1EPHX2POLBMMP8OPRK1
SCHEMBL8083527 0.75 RIPK1 (0.40) RIPK1EPHX2POLBMMP8ALDH1A1
SCHEMBL8095058 0.75 SPHK1 (0.43) EPHX2MMP8
SCHEMBL8083449 0.73 EPHX2 (0.41) EPHX2MMP8
SCHEMBL8083551 0.73 EPHX2 (0.41) EPHX2MMP8
SCHEMBL8083486 0.72 EPHX2 (0.41) EPHX2MMP8
SCHEMBL7432257 0.72 F2 (0.40) RIPK1POLB

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