Dibutyl Phthalate

Dibutyl Phthalate

SCHEMBL7159902

CC(C)Cc1ccc(C(=O)O)c(C(=O)O)c1CC(C)C.CCCCOC(=O)c1ccccc1C(=O)OCCCC

nearest known ligand 0.56

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 9/20 0.51
LMNA P02545 1/20 0.50
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
CA2 P00918 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TRPA1 O75762 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL18489476 0.90 TSHR (0.44) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628294 0.87 TSHR (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628173 0.87 TSHR (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29672148 0.86 ALDH1A1 (0.58) TSHRTDP1CYP3A4TP53ALDH1A1
Dibutyl Phthalate SCHEMBL29658281 0.86 TSHR (0.64) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL9183712 0.85 ALDH1A1 (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
Phthalic Acid SCHEMBL31462355 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBCA2
Phthalic Acid SCHEMBL29113646 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBCA2
Dibutyl Phthalate SCHEMBL8359408 0.83 TSHR (0.59) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29433637 0.82 PRSS1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544920-B1 Efficiency; to produce polymers having a higher bulk density BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-04-08 US disclosed
EP-0811021-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL NORTH AMERICA INC (US) 2000-02-02 EP disclosed
EP-0811021-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell North America Inc. (US) 1997-12-10 EP disclosed
WO-1997023518-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL NORTH AMERICA INC. (US) 1997-07-03 WO disclosed