SCHEMBL2176072

SCHEMBL2176072

CCOC(=O)C(C)(C(=O)OCC)C(CC)c1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MTNR1B P49286 5/20 0.43
MTNR1A P48039 4/20 0.43
KCNQ2 O43526 1/20 0.41
AOC3 Q16853 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2181081 0.84 L3MBTL1 (0.41) L3MBTL1ALDH1A1TDP1TSHRMAPK1
SCHEMBL2177735 0.80 KCNA5 (0.43) L3MBTL1ALDH1A1TDP1TSHRMAPK1
SCHEMBL12802502 0.80 CYP2C9 (0.57) L3MBTL1TDP1KDM4EMTNR1BMTNR1A
SCHEMBL2195806 0.79 L3MBTL1 (0.41) L3MBTL1KDM4EMTNR1BMTNR1A
SCHEMBL9326518 0.76 KDM4E (0.58) L3MBTL1ALDH1A1TDP1TSHRMAPK1
SCHEMBL15226528 0.76 L3MBTL1 (0.43) L3MBTL1KDM4EMTNR1BMTNR1AKCNQ2
SCHEMBL1433326 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1TDP1TSHRMAPK1
SCHEMBL8802851 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1TDP1TSHRMAPK1
SCHEMBL2179299 0.75 AOC3 (0.41) L3MBTL1ALDH1A1MAPK1MTNR1BMTNR1A
SCHEMBL3918115 0.75 L3MBTL1 (0.55) L3MBTL1ALDH1A1TDP1TSHRMAPK1

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
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed