SCHEMBL2178071

SCHEMBL2178071

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MTNR1B P49286 5/20 0.44
MTNR1A P48039 4/20 0.44
KDM4E B2RXH2 1/20 0.44
AOC3 Q16853 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 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
SCHEMBL2154689 0.90 L3MBTL1 (0.49) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL2154692 0.90 L3MBTL1 (0.49) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL2178503 0.87 L3MBTL1 (0.54) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL2178238 0.86 L3MBTL1 (0.50) L3MBTL1MTNR1BMTNR1A
SCHEMBL2322439 0.86 L3MBTL1 (0.50) L3MBTL1MTNR1BMTNR1A
SCHEMBL2176160 0.86 L3MBTL1 (0.50) L3MBTL1MTNR1BMTNR1A
SCHEMBL2176161 0.86 L3MBTL1 (0.50) L3MBTL1MTNR1BMTNR1A
SCHEMBL30786879 0.86 L3MBTL1 (0.50) L3MBTL1MTNR1BMTNR1A
SCHEMBL13731760 0.84 L3MBTL1 (0.56) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL2180203 0.84 L3MBTL1 (0.49) L3MBTL1MTNR1BMTNR1AAOC3MEN1

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