SCHEMBL40542

SCHEMBL40542

CCCCC/C=C/CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.76
LPAR3 Q9UBY5 8/20 0.69
LPAR1 Q92633 5/20 0.69
ENPP2 Q13822 5/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
PRKCE Q02156 1/20 0.67
PRKCQ Q04759 1/20 0.67
PRKCD Q05655 1/20 0.67
PRKCA P17252 1/20 0.67
FABP3 P05413 1/20 0.66
NR5A2 O00482 1/20 0.65
NR5A1 Q13285 1/20 0.65
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LPAR2 Q9HBW0 2/20 0.63
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL15219033 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL27225786 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL2622733 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL26108882 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL15209324 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL23225826 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL40543 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL18250362 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL21641458 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL40858 1.00 SELP (0.76) SELPLPAR3LPAR1ENPP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795980-B2 Methods for determination of previous ethanol consumption Pethmark AB (SE) 2014-08-05 US disclosed
US-20130224778-A1 Methods for Determination of Ethanol Consumption INNOVATOR SKANE AB (SE) 2013-08-29 US disclosed
EP-2591368-A1 METHODS FOR DETERMINATION OF ETHANOL CONSUMPTION Innovator Skåne AB (SE) 2013-05-15 EP disclosed
WO-2012005680-A1 METHODS FOR DETERMINATION OF ETHANOL CONSUMPTION INNOVATOR SKÅNE AB (SE) 2012-01-12 WO disclosed