Diethyl Phthalate

Diethyl Phthalate

SCHEMBL5306972

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 1.00
ALDH1A1 P00352 4/20 0.74
HSD17B10 Q99714 3/20 0.74
CDC25B P30305 2/20 0.66
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP3A4 P08684 2/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
KMT2A Q03164 2/20 0.56
CDC25A P30304 1/20 0.56
CDC25C P30307 1/20 0.56

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 SCHEMBL22296 1.00 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL29404255 1.00 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL27321495 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL8577506 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL28335913 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL30925693 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL30120741 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL19252611 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL7520316 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL28775845 0.98 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500236-A1 A PRESERVATIVE MIXTURE Symrise AG (DE) 2019-06-26 EP disclosed
EP-3465198-A1 METHOD OF RESOLVING ALLERGENS IN PERFUME INGREDIENTS Givaudan S.A. (CH) 2019-04-10 EP disclosed
WO-2018036625-A1 A PRESERVATIVE MIXTURE SYMRISE AG (DE) 2018-03-01 WO disclosed
WO-2017207467-A1 METHOD OF RESOLVING ALLERGENS IN PERFUME INGREDIENTS GIVAUDAN SA (CH) 2017-12-07 WO disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO disclosed
US-5710406-A Deodorizing cigarette lighter GARRIS LOUIE G (US) 1998-01-20 US disclosed