SCHEMBL4073146

SCHEMBL4073146

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MMP12 P39900 5/20 0.46
MMP3 P08254 1/20 0.44
MMP13 P45452 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SLC6A2 P23975 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2791841 0.84 ALDH1A1 (0.43)
SCHEMBL5711898 0.84 L3MBTL1 (0.45) CTSSCTSKL3MBTL1HTT
SCHEMBL4755595 0.83 FFAR1 (0.45) FFAR1MMP12MMP3MMP13MMP2
SCHEMBL6274443 0.82 L3MBTL1 (0.44) CTSSCTSKL3MBTL1LMNAHTT
SCHEMBL30736881 0.82 MEN1 (0.41) L3MBTL1
SCHEMBL30724412 0.80 HDAC1 (0.49) MMP12L3MBTL1
SCHEMBL4753983 0.80 PPARG (0.44) MMP12MMP3MMP13CTSSCTSK
SCHEMBL2793093 0.78 CYP4A11 (0.51) GAATSHR
SCHEMBL8992691 0.78 NPY5R (0.51) CTSSCTSKL3MBTL1HTT
SCHEMBL30503476 0.78 CTSK (0.43) CTSSCTSKL3MBTL1GAA

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-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed