SCHEMBL28677013

SCHEMBL28677013

CCCCCCCCCCCP(=O)(CCCC)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALPG P10696 1/20 0.53
ALOX12 P18054 1/20 0.53
NPY1R P25929 1/20 0.53
HTT P42858 1/20 0.53
NPY2R P49146 1/20 0.53
CETP P11597 4/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.43
PKM P14618 1/20 0.43
NAAA Q02083 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
SCHEMBL518513 0.98 NPSR1 (0.55) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL9343469 0.98 NPSR1 (0.55) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL5729066 0.96 NPSR1 (0.52) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL777465 0.94 TSHR (0.56) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL778318 0.86 TSHR (0.53) NPSR1ALDH1A1GAAMAPTALPG
Methane SCHEMBL28222974 0.86 CETP (0.43) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL10985692 0.82 NPSR1 (0.80) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL1724978 0.82 NPSR1 (0.80) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL10870085 0.82 NPSR1 (0.80) NPSR1ALDH1A1GAAMAPTALPG
SCHEMBL10404685 0.82 NPSR1 (0.80) NPSR1ALDH1A1GAAMAPTALPG

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-110229187-B Method for preparing alkyl phosphonyl compound from peroxide 苏州大学 2021-12-10 CN disclosed