SCHEMBL3363701

SCHEMBL3363701

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCN(C)C(=N)N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.57
DGKA P23743 2/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
CNR1 P21554 1/20 0.53
FAAH O00519 3/20 0.51
SOAT1 P35610 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
MGLL Q99685 1/20 0.51
EPHX2 P34913 2/20 0.50
KDM4E B2RXH2 2/20 0.48
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47

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
SCHEMBL3363706 1.00 DNM1 (0.57) DNM1DGKAALDH1A1MAPTTHRB
SCHEMBL3363753 1.00 DNM1 (0.57) DNM1DGKAALDH1A1MAPTTHRB
SCHEMBL3363758 1.00 DNM1 (0.57) DNM1DGKAALDH1A1MAPTTHRB
SCHEMBL3362342 1.00 DNM1 (0.57) DNM1DGKAALDH1A1MAPTTHRB
SCHEMBL3360307 0.96 ALDH1A1 (0.60) DNM1DGKAALDH1A1MAPTTHRB
SCHEMBL3425076 0.93 CNR1 (0.64) DNM1ALDH1A1MAPTTHRBCNR1
SCHEMBL3359910 0.92 DNM1 (0.67) DNM1DGKAALDH1A1MAPTMEN1
SCHEMBL13822021 0.92 DNM1 (0.67) DNM1DGKAALDH1A1MAPTMEN1
SCHEMBL3359049 0.92 DNM1 (0.67) DNM1DGKAALDH1A1MAPTMEN1
SCHEMBL3360231 0.92 DNM1 (0.67) DNM1DGKAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234965-A1 CREATINOL-FATTY ACID ESTERS Northern Innovations and Formulations Corp. (CA) 2010-10-06 EP disclosed
WO-2009076741-A1 CREATINOL-FATTY ACID ESTERS MULTI FORMULATIONS LTD. (CA) 2009-06-25 WO disclosed
US-7476749-B1 Creatinol-fatty acid esters MULTI FORMULATIONS LTD. 2009-01-13 US disclosed