SCHEMBL29110950

SCHEMBL29110950

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MTNR1A P48039 9/20 0.53
MTNR1B P49286 9/20 0.53
FFAR1 O14842 1/20 0.47
AOC3 Q16853 2/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL12191931 0.89 MTNR1A (0.56) L3MBTL1MTNR1AMTNR1BFFAR1
SCHEMBL12191930 0.89 MTNR1A (0.56) L3MBTL1MTNR1AMTNR1BFFAR1
SCHEMBL15474104 0.88 L3MBTL1 (0.69) L3MBTL1MTNR1AMTNR1BFFAR1AOC3
SCHEMBL13814395 0.85 AOC3 (0.51) L3MBTL1MTNR1AMTNR1BAOC3CHRM2
SCHEMBL23771122 0.84 L3MBTL1 (0.53) L3MBTL1MTNR1AMTNR1BFFAR1AOC3
SCHEMBL12174660 0.84 L3MBTL1 (0.62) L3MBTL1MTNR1AMTNR1B
SCHEMBL5858110 0.81 L3MBTL1 (0.59) L3MBTL1MTNR1AMTNR1BFFAR1AOC3
SCHEMBL27553226 0.81 L3MBTL1 (0.77) L3MBTL1MTNR1AMTNR1BAOC3CES2
SCHEMBL27553225 0.81 L3MBTL1 (0.77) L3MBTL1MTNR1AMTNR1BAOC3CES2
SCHEMBL11082143 0.79 L3MBTL1 (0.75) L3MBTL1MTNR1AMTNR1BAOC3CES2

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
CN-116655459-A Synthetic method for selectively synthesizing 4-aryl-2-hexanone 河南大学 2023-08-29 CN disclosed