SCHEMBL4648652

SCHEMBL4648652

CC(=O)NCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.63
ADAMTS4 O75173 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.57
MMP12 P39900 2/20 0.56
MMP2 P08253 1/20 0.56
MMP8 P22894 1/20 0.56
CCKBR P32239 1/20 0.52
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL2245265 0.89 L3MBTL1 (0.72) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2249357 0.88 NPC1 (0.67) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2247366 0.87 ADAMTS5 (0.61) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2250363 0.87 L3MBTL1 (0.62) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2244204 0.86 L3MBTL1 (0.61) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2246740 0.86 CCKBR (0.70) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2247413 0.85 ADAMTS5 (0.60) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2245074 0.85 ADAMTS5 (0.60) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2246984 0.85 L3MBTL1 (0.60) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2
SCHEMBL2247187 0.85 L3MBTL1 (0.60) ADAMTS5ADAMTS4L3MBTL1MMP12MMP2

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-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed