SCHEMBL3359977

SCHEMBL3359977

CCCCCCCCCCCCCCCC(=O)OCCN(C)C(=N)N

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.67
DGKA P23743 1/20 0.64
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
PAM P19021 2/20 0.46
HTR2C P28335 1/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NAAA Q02083 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL13822021 1.00 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3362845 1.00 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359049 1.00 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359624 1.00 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359910 1.00 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3360231 1.00 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3360083 0.98 DNM1 (0.64) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3363701 0.92 DNM1 (0.57) DNM1DGKAMAPTALDH1A1KDM4E
SCHEMBL3363753 0.92 DNM1 (0.57) DNM1DGKAMAPTALDH1A1KDM4E
SCHEMBL3363758 0.92 DNM1 (0.57) DNM1DGKAMAPTALDH1A1KDM4E

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