SCHEMBL3928604

SCHEMBL3928604

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCNC(=N)NC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
CNR2 P34972 1/20 0.53
MGLL Q99685 1/20 0.51
DGKA P23743 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CNR1 P21554 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50
PRKCA P17252 1/20 0.50
LPAR1 Q92633 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
ENPP2 Q13822 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
SCHEMBL3921783 1.00 EPHX2 (0.56) EPHX2CNR2MGLLDGKAALDH1A1
SCHEMBL3920402 0.92 DGKA (0.59) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL3359626 0.92 DGKA (0.59) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL3360953 0.92 DGKA (0.59) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL3929539 0.92 DGKA (0.59) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL3923877 0.92 DGKA (0.59) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL3922163 0.92 DGKA (0.59) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL3919787 0.91 DGKA (0.56) EPHX2DGKAALDH1A1MAPTPRKCE
SCHEMBL8897685 0.86 EPHX2 (0.57) EPHX2CNR2MGLLDGKAALDH1A1
SCHEMBL8897683 0.86 EPHX2 (0.57) EPHX2CNR2MGLLDGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476749-B1 Creatinol-fatty acid esters MULTI FORMULATIONS LTD. 2009-01-13 US disclosed