SCHEMBL8083527

SCHEMBL8083527

CCC(CC)(C(=O)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)OBO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
MMP8 P22894 2/20 0.35
CTSK P43235 2/20 0.35
OPRK1 P41145 1/20 0.34
TLR2 O60603 1/20 0.33
NPY1R P25929 1/20 0.33
TPSAB1 Q15661 1/20 0.33
PPID Q08752 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
C3AR1 Q16581 1/20 0.32

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
SCHEMBL8095253 0.89 RIPK1 (0.39) RIPK1L3MBTL1MAPTMMP8CTSK
SCHEMBL8091386 0.87 RIPK1 (0.43) RIPK1L3MBTL1MAPTMMP8CTSK
SCHEMBL8095236 0.81 RIPK1 (0.52) RIPK1MAPTMMP8OPRK1TLR2
SCHEMBL8095454 0.78 MMP8 (0.37) L3MBTL1MAPTMMP8TPSAB1EPHX2
SCHEMBL8095158 0.77 MMP8 (0.36) L3MBTL1MAPTMMP8TPSAB1EPHX2
SCHEMBL8091532 0.77 MMP8 (0.36) L3MBTL1MAPTMMP8TPSAB1EPHX2
SCHEMBL7432264 0.76 F2 (0.36) RIPK1L3MBTL1MAPTCTSKOPRK1
SCHEMBL8091531 0.76 MMP8 (0.35) L3MBTL1MAPTMMP8TPSAB1EPHX2
SCHEMBL7432257 0.76 F2 (0.40) RIPK1TLR2POLB
SCHEMBL8095232 0.75 RIPK1 (0.45) RIPK1MAPTMMP8OPRK1PPID

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