SCHEMBL29196552

SCHEMBL29196552

O=P(OC1CCCC1)(c1ccccc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL779210 0.98 NPSR1 (0.40) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL781102 0.79 SMN1; SMN2 (0.38) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL779674 0.78 L3MBTL1 (0.44) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL779638 0.78 MEN1 (0.43) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL11340663 0.76 NPSR1 (0.42) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL778087 0.76 KMT2A (0.37) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL779700 0.75 ACHE (0.46) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL5420537 0.75 NPSR1 (0.44) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL11340635 0.75 NPSR1 (0.44) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL14966208 0.72 GAA (0.44) NPSR1MEN1KMT2ALMNAGAA

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
CN-117903195-A Method for preparing (2-oxo-2-arylethyl) (phenyl) phosphonate alkyl ester compound 湖南理工学院 2024-04-19 CN claimed
CN-117903195-A Method for preparing (2-oxo-2-arylethyl) (phenyl) phosphonate alkyl ester compound 湖南理工学院 2024-04-19 CN disclosed