Dimethyl Phthalate

Dimethyl Phthalate

SCHEMBL28028655

COC(=O)c1ccc(N)cc1C(=O)OC.COC(=O)c1ccccc1C(=O)OC

nearest known ligand 0.66

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.66
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 3/20 0.61
CFTR P13569 2/20 0.61
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
ATM Q13315 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA5A P35218 1/20 0.50
ABL1 P00519 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.47

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
SCHEMBL1403643 0.94 GAA (0.72) GAAALDH1A1HSD17B10CFTRLMNA
SCHEMBL7623605 0.92 GAA (0.70) GAAALDH1A1HSD17B10CFTRLMNA
SCHEMBL9398149 0.85 GAA (0.66) GAAALDH1A1HSD17B10CFTRLMNA
SCHEMBL9648251 0.85 GAA (0.66) GAAALDH1A1HSD17B10CFTRLMNA
SCHEMBL29922154 0.85 GAA (0.66) GAAALDH1A1HSD17B10CFTRLMNA
SCHEMBL28627930 0.83 GAA (0.58) GAAALDH1A1HSD17B10CFTRTSHR
SCHEMBL10289753 0.82 GAA (0.62) GAAALDH1A1HSD17B10CFTRLMNA
Dimethyl Phthalate SCHEMBL28758679 0.82 ALDH1A1 (0.72) ALDH1A1HSD17B10CFTRLMNATSHR
Dimethyl Phthalate SCHEMBL34630 0.82 TSHR (0.74) ALDH1A1HSD17B10CFTRLMNATSHR
Dimethyl Phthalate SCHEMBL29500970 0.82 TSHR (0.74) ALDH1A1HSD17B10CFTRLMNATSHR

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-105198985-A Preparation and application of dimethyl phthalate artificial coating antigen (DMP-OVA) UNIV SHANGHAI JIAOTONG 2015-12-30 CN disclosed