SCHEMBL29110970

SCHEMBL29110970

CCC(CC(C)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
FFAR1 O14842 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HPGD P15428 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1500385 0.89 GABBR2 (0.48) FFAR1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL29110949 0.82 L3MBTL1 (0.50) FFAR1L3MBTL1HPGDPDE4APDE4B
SCHEMBL29110964 0.80 STAT3 (0.45) FFAR1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13559962 0.79 GABBR2 (0.53) SMN1; SMN2MAPTL3MBTL1HPGDMEN1
SCHEMBL29110951 0.79 HDAC8 (0.51) FFAR1SMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL7173691 0.79 PTGS2 (0.52) PTGS2FFAR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11134856 0.79 PTGS2 (0.56) PTGS2FFAR1SMN1; SMN2MAPTMEN1
SCHEMBL29110954 0.79 HDAC8 (0.43) FFAR1MAPTHPGDHDAC8HDAC6
SCHEMBL2484805 0.76 GABBR2 (0.66) FFAR1MAPTMEN1KMT2A
SCHEMBL6174106 0.76 GABBR2 (0.66) FFAR1MAPTMEN1KMT2A

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