Dimethyl Phthalate

Dimethyl Phthalate

SCHEMBL28111561

COC(=O)c1ccccc1C(=O)OC.NC(CCC(=O)O)C(=O)O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 1/20 0.55
▸ GRM6 O15303 1/20 0.55
▸ GRIN2D O15399 1/20 0.55
▸ GRIN3B O60391 1/20 0.55
▸ GSR P00390 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ GRIK1 P39086 1/20 0.55
▸ GRM5 P41594 1/20 0.55
▸ GRIA1 P42261 1/20 0.55
▸ GRIA2 P42262 1/20 0.55
▸ GRIA3 P42263 1/20 0.55
▸ SLC1A3 P43003 1/20 0.55
▸ SLC1A2 P43004 1/20 0.55
▸ SLC1A1 P43005 1/20 0.55
▸ GRIA4 P48058 1/20 0.55
▸ GRIN1 Q05586 1/20 0.55
▸ GRIN2A Q12879 1/20 0.55
▸ GRIK2 Q13002 1/20 0.55
▸ GRIK3 Q13003 1/20 0.55
▸ GRIN2B Q13224 1/20 0.55

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
Phthalic Acid SCHEMBL8407913 0.82 CYP1A2 (0.64) GRM8GRM6GRIN2DGRIN3BGSR
Phthalic Acid SCHEMBL8407915 0.82 CYP1A2 (0.64) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL10362865 0.82 TSHR (0.55) CYP1A2LTA4HALDH1A1HSD17B10TSHR
Dimethyl Phthalate SCHEMBL28096039 0.82 TSHR (0.59) ALDH1A1CFTRHSD17B10LMNATSHR
Glutamic Acid SCHEMBL10804869 0.81 KIF11 (0.59) GRM8GRM6GRIN2DGRIN3BGSR
D-Glutamate SCHEMBL10804850 0.81 KIF11 (0.59) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL11417243 0.80 LTA4H (0.53) LTA4HHSD17B10SLC7A5TSHR
Dimethyl Phthalate SCHEMBL27763813 0.80 ALDH1A1 (0.49) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
Methyl Salicylate SCHEMBL16717106 0.80 LMNA (0.55) LTA4HALDH1A1CFTRHSD17B10LMNA
Glutamic Acid SCHEMBL1674904 0.79 GRM8 (0.64) GRM8GRM6GRIN2DGRIN3BGSR

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-106137780-B A kind of microcapsules containing dimethyl phthalate, mosquito-repellent water and preparation method thereof 广州睿森生物科技有限公司 2019-02-01 — — CN disclosed
CN-106137780-A A kind of microcapsule containing dimethyl phthalate, mosquito-repellent water and preparation method thereof 广州睿森生物科技有限公司 2016-11-23 — — CN disclosed
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