SCHEMBL29169490

SCHEMBL29169490

O=C(CCCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.70
TDP1 Q9NUW8 3/20 0.63
GAA P10253 3/20 0.63
MAPT P10636 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
ALPG P10696 1/20 0.63
ALOX12 P18054 1/20 0.63
NPY1R P25929 1/20 0.63
HTT P42858 1/20 0.63
NPY2R P49146 1/20 0.63
HDAC1 Q13547 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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
SCHEMBL29169499 0.85 NPSR1 (0.52) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL29169501 0.85 KMT2A (0.55) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL9463186 0.84 NPSR1 (0.96) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL10780224 0.82 NPSR1 (1.00) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL7068671 0.81 TDP1 (0.95) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL4162470 0.81 ALDH1A1 (0.95) NPSR1TDP1GAAMAPTL3MBTL1
Hydrogen Peroxide SCHEMBL8610678 0.79 ALDH1A1 (0.82) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL8519287 0.79 TDP1 (1.00) TDP1GAAMAPTL3MBTL1ALDH1A1
SCHEMBL10060106 0.79 ALDH1A1 (1.00) NPSR1TDP1GAAMAPTL3MBTL1
SCHEMBL10426396 0.79 ALDH1A1 (1.00) NPSR1TDP1GAAMAPTL3MBTL1

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-117700455-A Carbon-phosphorus (C-P) coupling reactions involving alkylsilyl peroxides 广东工业大学 2024-03-15 CN disclosed