SCHEMBL28516612

SCHEMBL28516612

CCC(=O)OP(N)(=O)OC(=O)CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
CA4 P22748 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL21764794 0.81 NAAA (0.31) NAAA
SCHEMBL21764736 0.80
SCHEMBL21764951 0.80
SCHEMBL21764564 0.80
SCHEMBL939429 0.78 ALDH1A1 (0.39) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL24337614 0.77 LPAR3 (0.52) NAAA
SCHEMBL28198850 0.76 ALDH1A1 (0.38) ALDH1A1NAAATDP1FFAR3CA4
SCHEMBL11506056 0.76 ALDH1A1 (0.38) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL414813 0.76
SCHEMBL13176892 0.74

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142809-B Uretidine dipropionate phosphoramidate compound, pharmaceutical composition thereof, and preparation method and application thereof 佛山科学技术学院 2022-03-22 CN disclosed
CN-112142809-B Uretidine dipropionate phosphoramidate compound, pharmaceutical composition thereof, and preparation method and application thereof 佛山科学技术学院 2022-03-22 CN disclosed
CN-112142809-A Uretidine dipropionate phosphoramidate compound, pharmaceutical composition thereof, and preparation method and application thereof 佛山科学技术学院 2020-12-29 CN disclosed
CN-112142809-A Uretidine dipropionate phosphoramidate compound, pharmaceutical composition thereof, and preparation method and application thereof 佛山科学技术学院 2020-12-29 CN disclosed