SCHEMBL6129235

SCHEMBL6129235

CCCCOC(=O)C=C(CC)C(=O)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
TSHR P16473 5/20 0.53
HPGD P15428 1/20 0.53
HCAR2 Q8TDS4 4/20 0.50
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NAAA Q02083 1/20 0.41
APP P05067 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAD52 P43351 1/20 0.36
CYP3A4 P08684 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL6129234 1.00 ATM (0.57) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL28004229 1.00 ATM (0.57) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL27260106 0.93 ATM (0.48) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL1244640 0.87 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL3604815 0.87 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL3296923 0.87 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8846378 0.87 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL1244643 0.87 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL27934889 0.86 TSHR (0.49) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL27365356 0.86 ATM (0.53) ATMTSHRHPGDHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846888-B2 Stabilized with a dialkyl maleate; suitable for making polyvinyl chloride for food contact use ATOFINA CHEMICALS, INC. (US) 2005-01-25 US disclosed
EP-1231206-B1 Stabilized organic peroxidicarbonate compositions ATOFINA CHEM INC (US) 2004-03-17 EP disclosed
US-20020177678-A1 Stabilized with a dialkyl maleate; suitable for making polyvinyl chloride for food contact use ATOFINA CHEMICALS, INC. 2002-11-28 US disclosed
EP-1231206-A1 Stabilized organic peroxidicarbonate compositions Atofina Chemicals, Inc. (US) 2002-08-14 EP disclosed
US-6399728-B1 USING UNSATURATED DIESTER ATOFINA CHEMICALS, INC. 2002-06-04 US disclosed