Diethyl Phthalate

Diethyl Phthalate

SCHEMBL321970

CCOC(=O)c1ccccc1C(=O)OCC.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Diethyl Phthalate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.48
TSHR P16473 6/20 0.66
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 2/20 0.53
CDC25B P30305 2/20 0.49
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
SLC13A5 Q86YT5 2/20 0.44

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
Diethyl Phthalate SCHEMBL1134636 0.87 TSHR (0.56) TSHRALDH1A1HSD17B10KDM4EKMT2A
Dibutyl Phthalate SCHEMBL18094424 0.85 TSHR (0.69) TSHRALDH1A1HSD17B10KDM4EKMT2A
Diethyl Phthalate SCHEMBL27714821 0.83 TSHR (0.81) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL28775845 0.83 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL19252611 0.83 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL28168029 0.81 TSHR (0.91) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL29404255 0.81 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL22296 0.81 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL5306972 0.81 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL27773128 0.80 TSHR (0.81) TSHRALDH1A1HSD17B10CDC25BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591048-B1 MATERIAL BASED ON CELLULOSE ACETATE WITH PLASTICISERS AND MANUFACTURED ARTICLE PRODUCED THEREWITH MAZZUCCHELLI 1849 SPA (IT) 2017-03-29 EP disclosed
CN-103097448-B Material based on cellulose acetate with a plasticizer and article made with this material MAZZUCCHELLI 1849 S.P.A. (IT) 2016-01-20 CN disclosed
US-8783860-B2 Material based on cellulose acetate with plasticisers and manufactured article produced therewith MAZZUCCHELLI 1849 S.P.A. (IT) 2014-07-22 US disclosed
US-20130169921-A1 MATERIAL BASED ON CELLULOSE ACETATE WITH PLASTICISERS AND MANUFACTURED ARTICLE PRODUCED THEREWITH MAZZUCCHELLI 1849 S.P.A. (IT) 2013-07-04 US disclosed
EP-2591048-A1 MATERIAL BASED ON CELLULOSE ACETATE WITH PLASTICISERS AND MANUFACTURED ARTICLE PRODUCED THEREWITH Mazzucchelli 1849 S.p.A. (IT) 2013-05-15 EP disclosed
CN-103097448-A Material based on cellulose acetate with a plasticizer and article made with this material MAZZUCCHELLI 1849 SPA 2013-05-08 CN disclosed
WO-2012004727-A1 MATERIAL BASED ON CELLULOSE ACETATE WITH PLASTICISERS AND MANUFACTURED ARTICLE PRODUCED THEREWITH MAZZUCCHELLI 1849 S.P.A. (IT) 2012-01-12 WO disclosed