Diethyl Phthalate

Diethyl Phthalate

SCHEMBL6906846

CCOC(=O)c1ccccc1C(=O)OCC.COC.OCCOCCO

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.70
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CDC25B P30305 3/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 4/20 0.49
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 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 SCHEMBL9858249 0.97 TSHR (0.75) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Diethyl Phthalate SCHEMBL6906851 0.92 TSHR (0.64) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL28514072 0.92 TSHR (0.68) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Di(Hydroxyethyl)Ether SCHEMBL28514073 0.90 TSHR (0.66) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL8968346 0.88 TSHR (0.78) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Diethyl Phthalate SCHEMBL5603416 0.86 TSHR (0.88) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Diethyl Phthalate SCHEMBL27838786 0.84 TSHR (0.91) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Diethyl Phthalate SCHEMBL29404255 0.84 TSHR (1.00) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Diethyl Phthalate SCHEMBL22296 0.84 TSHR (1.00) TSHRALDH1A1HSD17B10TDP1L3MBTL1
Diethyl Phthalate SCHEMBL5306972 0.84 TSHR (1.00) TSHRALDH1A1HSD17B10TDP1L3MBTL1

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
US-20040166087-A1 Asphalt composition with holding and masking agents GEMBALA HENRY (US) 2004-08-26 US claimed