SCHEMBL2178503

SCHEMBL2178503

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MTNR1B P49286 6/20 0.45
MTNR1A P48039 5/20 0.45
KDM4E B2RXH2 1/20 0.44
AOC3 Q16853 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2178071 0.87 L3MBTL1 (0.53) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL2179422 0.83 L3MBTL1 (0.49) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL13522787 0.82 L3MBTL1 (0.53) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL9326518 0.82 KDM4E (0.58) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL1433326 0.82 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL31198051 0.81 L3MBTL1 (0.52) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL31198082 0.81 L3MBTL1 (0.52) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL11618270 0.81 AOC3 (0.51) L3MBTL1MTNR1BMTNR1AAOC3CHRM2
SCHEMBL3918115 0.81 L3MBTL1 (0.55) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL2154689 0.80 L3MBTL1 (0.49) L3MBTL1TSHRMAPK1TDP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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