SCHEMBL8083584

SCHEMBL8083584

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
MMP8 P22894 2/20 0.42
OPRK1 P41145 2/20 0.40
CTSK P43235 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
TLR2 O60603 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 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
SCHEMBL8091386 0.87 RIPK1 (0.43) RIPK1MMP8OPRK1CTSKSMN1; SMN2
SCHEMBL8095253 0.87 RIPK1 (0.39) RIPK1MMP8OPRK1CTSKSMN1; SMN2
SCHEMBL8095188 0.76 MMP8 (0.39) MMP8SMN1; SMN2MMP1L3MBTL1MAPT
SCHEMBL8090156 0.76 MMP8 (0.39) MMP8SMN1; SMN2L3MBTL1MAPTCYP1A2
SCHEMBL8091670 0.75 MMP8 (0.38) MMP8MMP1L3MBTL1MAPT
SCHEMBL8083527 0.75 RIPK1 (0.40) RIPK1MMP8OPRK1CTSKSMN1; SMN2
SCHEMBL31423650 0.74 RIPK1 (0.47) RIPK1MMP8OPRK1SMN1; SMN2L3MBTL1
SCHEMBL7441451 0.72 F2 (0.47) RIPK1
SCHEMBL8095305 0.70 CYP3A4 (0.35) MMP8OPRK1CTSKMMP1MMP3
SCHEMBL8095467 0.70 CYP3A4 (0.38) MMP8MMP1MMP3MMP9CYP1A2

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