SCHEMBL835135

SCHEMBL835135

CCCCCC1OC1CC1OC1CCCCCCCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
PRKCA P17252 2/20 0.40
PRKCE Q02156 2/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL863512 0.95 CES2 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL19628786 0.95 CES2 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL13409098 0.90 PAOX (0.38) PRKCAPRKCEALDH1A1
SCHEMBL16966579 0.86 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL1333129 0.86 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL16966580 0.86 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL13238214 0.85 PRKCA (0.42) PRKCAPRKCE
SCHEMBL13052135 0.85 PRKCA (0.36) CES2CES1PRKCAPRKCEPTPN1
SCHEMBL13052136 0.85 PRKCA (0.36) CES2CES1PRKCAPRKCEPTPN1
SCHEMBL13708512 0.83 ALDH1A1 (0.44) PRKCAPRKCETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575289-B1 Elastomer product from epoxidized vegetable oil and gliadin THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2013-11-05 US disclosed
US-8142524-B2 Biodiesel-derived combustion improver CHEVRON U.S.A. INC. (US) 2012-03-27 US disclosed
US-8142524-B2 Biodiesel-derived combustion improver CHEVRON U.S.A. INC. (US) 2012-03-27 US disclosed
US-7754823-B2 Vegetable based dioxanone derivatives, synthesis and uses thereof ARCHER-DANIELS-MIDLAND COMPANY (US) 2010-07-13 US disclosed
US-7700792-B2 Highly active lysophosphatidic acid and method of screening therewith ONO PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20090005508-A1 EPOXIDIZED ESTERS OF VEGETABLE OIL FATTY ACIDS AS REACTIVE DILUENTS ARCHER-DANIELS-MIDLAND COMPANY 2009-01-01 US disclosed