SCHEMBL9858129

SCHEMBL9858129

CCOC(=O)COC(=O)CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
CYP4F2 P78329 2/20 0.63
CYP4A11 Q02928 2/20 0.63
ABCB1 P08183 1/20 0.62
MAPT P10636 2/20 0.57
ALOX5 P09917 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP4Z1 Q86W10 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.93 TDP1 (0.75) TDP1CYP4F2CYP4A11ABCB1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.91 TDP1 (0.72) TDP1CYP4F2CYP4A11ABCB1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL28983325 0.88 TDP1 (0.68) TDP1CYP4F2CYP4A11ABCB1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL311047 0.88 TDP1 (0.68) TDP1CYP4F2CYP4A11ABCB1ALOX5
Ethyl 3-Phenylpropanoate SCHEMBL3322728 0.88 CYP4F2 (0.70) TDP1CYP4F2CYP4A11ABCB1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL27762292 0.88 TDP1 (0.68) TDP1CYP4F2CYP4A11ABCB1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL8614481 0.87 TDP1 (0.66) TDP1CYP4F2CYP4A11ABCB1MAPT
SCHEMBL2773061 0.87 CYP4F2 (0.68) TDP1CYP4F2CYP4A11ABCB1ALOX5
Ethyl 3-Phenylpropanoate SCHEMBL6847259 0.87 TDP1 (0.66) TDP1CYP4F2CYP4A11ABCB1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL27562389 0.85 CYP4F2 (0.66) TDP1CYP4F2CYP4A11ABCB1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347378-A Antimicrobial glycolic acid derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-08-31 US claimed
US-5015419-A Bactericides or fungicides and yarn lubricants for textiles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1991-05-14 US disclosed
US-4720574-A Antimicrobial compound bis (carbomethoxymethyl) adipate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1988-01-19 US disclosed
US-4464392-A Process for controlling antimicrobial activity using glycolic acid derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-08-07 US disclosed
US-4464392-A Process for controlling antimicrobial activity using glycolic acid derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-08-07 US disclosed
US-4347378-A Antimicrobial glycolic acid derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-08-31 US disclosed
US-4346043-A BIOSTATS IN COMMERCIAL PRODUCTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF AGRICULTURE (US) 1982-08-24 US disclosed