SCHEMBL15670569

SCHEMBL15670569

CC(C)[C@H](N)C(=O)Oc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
ALOX5 P09917 3/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ALDH1A1 P00352 4/20 0.37
PSMB5 P28074 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SLC15A1 P46059 1/20 0.33

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
SCHEMBL15671059 0.89 MMP1 (0.41) MMP1MMP9MMP12ALOX5SLC1A3
SCHEMBL5656608 0.86 MMP1 (0.44) MMP1MMP9MMP12ALOX5SLC1A3
SCHEMBL15670665 0.84 ALDH1A1 (0.41) MMP1MMP9MMP12ALOX5SLC1A3
SCHEMBL15670432 0.80 MMP1 (0.42) MMP1MMP9MMP12ALOX5SLC1A3
SCHEMBL5041398 0.79 MMP1 (0.44) MMP1MMP9MMP12ALOX5ALDH1A1
SCHEMBL8633653 0.77 MMP1 (0.42) MMP1MMP9MMP12ALOX5ALDH1A1
SCHEMBL15670418 0.77 MMP1 (0.42) MMP1MMP9MMP12ALOX5SLC1A3
SCHEMBL15670510 0.77 MMP1 (0.42) MMP1MMP9MMP12ALOX5SLC1A3
SCHEMBL4223881 0.75 MMP1 (0.41) MMP1MMP9MMP12ALOX5ALDH1A1
SCHEMBL29128596 0.75 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1KMT2A

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-2914132-A1 FLAVOUR ADDITIVES Mars, Incorporated (US) 2015-09-09 EP disclosed
WO-2014068045-A1 FLAVOUR ADDITIVES MARS, INCORPORATED (US) 2014-05-08 WO disclosed