SCHEMBL10030735

SCHEMBL10030735

C=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.68
TSHR P16473 5/20 0.66
HPGD P15428 1/20 0.66
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 1/20 0.61
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NAAA Q02083 1/20 0.53
DNM1 Q05193 1/20 0.53
HTR2C P28335 1/20 0.51
HCAR2 Q8TDS4 2/20 0.50
MAPT P10636 1/20 0.50
PAM P19021 2/20 0.49
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL10426125 0.98 TSHR (0.68) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL8024637 0.97 DGKA (0.72) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL838656 0.97 DGKA (0.72) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL10426039 0.97 DGKA (0.72) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL9570462 0.97 DGKA (0.72) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL13779732 0.95 TSHR (0.73) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL6469329 0.95 DGKA (0.69) DGKATSHRHPGDALDH1A1CYP3A4
Propene SCHEMBL19717884 0.94 DGKA (0.68) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL23553096 0.92 DGKA (0.66) DGKATSHRHPGDALDH1A1CYP3A4
SCHEMBL14792967 0.92 DGKA (0.66) DGKATSHRHPGDALDH1A1CYP3A4

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-8714723-B2 Robust curable solid inks and methods for using the same XEROX CORPORATION (US) 2014-05-06 US disclosed
US-8329776-B2 Dental composition containing a polyfunctional (meth)acrylate comprising urethane, urea or amide groups, method of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
US-20120287199-A1 High Reactivity Curable Paste Ink Compositions XEROX CORPORATION (US) 2012-11-15 US disclosed
US-20120287212-A1 ROBUST CURABLE SOLID INKS AND METHODS FOR USING THE SAME XEROX CORPORATION (US) 2012-11-15 US disclosed
US-8097661-B2 Ink compositions and methods XEROX CORPORATION (US) 2012-01-17 US disclosed
US-20110262643-A1 INK COMPOSITIONS AND METHODS XEROX CORPORATION (US) 2011-10-27 US disclosed
US-7288591-B2 Curable dispersants 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-30 US disclosed