Bis(2-Ethylhexyl) Phthalate

Bis(2-Ethylhexyl) Phthalate

SCHEMBL4434574

CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.94
PRSS2 P07478 1/20 0.94
PRSS3 P35030 1/20 0.94
ALDH1A1 P00352 10/20 0.94
CYP3A4 P08684 5/20 0.94
CA2 P00918 1/20 0.94
LMNA P02545 4/20 0.80
TSHR P16473 9/20 0.69
MAPK1 P28482 4/20 0.69
TP53 P04637 1/20 0.58
HSD17B10 Q99714 2/20 0.58
TDP1 Q9NUW8 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50

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
Bis(2-Ethylhexyl) Phthalate SCHEMBL2345381 1.00 PRSS1 (0.94) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL14377252 0.97 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL203177 0.97 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL31436407 0.97 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3029945 0.97 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 0.97 ALDH1A1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 0.97 ALDH1A1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL2864306 0.97 ALDH1A1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 0.97 ALDH1A1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL20271 0.97 ALDH1A1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121577-B1 METHOD FOR THE SYNTHESIS OF OMEGA-AMINO-ALKANOIC ACIDS ARKEMA FRANCE (FR) 2013-07-31 EP disclosed
EP-2121577-A2 METHOD FOR THE SYNTHESIS OF OMEGA-AMINO-ALKANOIC ACIDS ARKEMA FRANCE (FR) 2009-11-25 EP disclosed
WO-2008104722-A2 METHOD FOR THE SYNTHESIS OF OMEGA-AMINO-ALKANOIC ACIDS ARKEMA FRANCE (FR) 2008-09-04 WO disclosed