SCHEMBL4125846

SCHEMBL4125846

C=C(CC=CC(=O)O)C(=O)OC.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 4/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 5/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2462155 0.96 TSHR (0.63) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL19409894 0.90 TSHR (0.49) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL2897557 0.88 TSHR (0.56) TSHRHPGDHCAR2CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL19409890 0.88 TSHR (0.53) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL5718145 0.87 TSHR (0.62) TSHRHPGDHCAR2TDP1CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL17956576 0.85 TSHR (0.52) TSHRHPGDHCAR2CYP3A4ATM
Methacrylic Acid SCHEMBL8025755 0.84 TSHR (0.51) TSHRHPGDHCAR2CYP3A4ATM
SCHEMBL1283863 0.84 TSHR (0.60) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL5133477 0.83 TSHR (0.50) TSHRHPGDHCAR2CYP3A4ATM
SCHEMBL7748033 0.83 TSHR (0.45) TSHRTDP1CYP3A4ATMALDH1A1

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
US-20130303693-A1 SUBSTITUTED ALKOXYLATED PHENOLS AND BRANCHED SULFATES FOR USE IN EMULSION POLYMER LATEXES STEPAN COMPANY (US) 2013-11-14 US disclosed
US-8492465-B2 Substituted alkoxylated phenols and branched sulfates for use in emulsion polymer latexes STEPAN COMPANY (US) 2013-07-23 US disclosed
US-20090076202-A1 Substituted Alkoxylated Phenols and Branched Sulfates for Use in Emulsion Polymer Latexes STEPAN COMPANY 2009-03-19 US disclosed