SCHEMBL8091386

SCHEMBL8091386

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
TLR2 O60603 2/20 0.38
MMP8 P22894 1/20 0.38
CTSK P43235 1/20 0.37
OPRK1 P41145 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPID Q08752 1/20 0.36
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
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 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
SCHEMBL8083584 0.87 RIPK1 (0.42) RIPK1TLR2MMP8CTSKOPRK1
SCHEMBL8083527 0.87 RIPK1 (0.40) RIPK1TLR2MMP8CTSKOPRK1
SCHEMBL8095253 0.75 RIPK1 (0.39) RIPK1MMP8CTSKOPRK1MAPT
SCHEMBL8095188 0.74 MMP8 (0.39) MMP8MAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL8090156 0.74 MMP8 (0.39) MMP8MAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL8091670 0.73 MMP8 (0.38) MMP8MAPTL3MBTL1
SCHEMBL10937862 0.70 RIPK1 (0.64) RIPK1MMP8OPRK1MAPTL3MBTL1
SCHEMBL7438658 0.70 RIPK1 (0.68) RIPK1MMP8OPRK1MAPTL3MBTL1
SCHEMBL8095236 0.67 RIPK1 (0.52) RIPK1TLR2MMP8OPRK1MAPT
SCHEMBL8095305 0.67 CYP3A4 (0.35) MMP8CTSKOPRK1CYP1A2CYP2D6

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