SCHEMBL3360086

SCHEMBL3360086

CCCCCC(=O)OCCNC(N)=NC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
DNM1 Q05193 1/20 0.46
EPHX2 P34913 8/20 0.44
PAM P19021 2/20 0.42
HTR2C P28335 1/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3360238 0.98 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3359912 0.98 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3362849 0.98 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3359050 0.98 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3361119 0.98 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3359982 0.98 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3363761 0.91 EPHX2 (0.55) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL3363709 0.91 EPHX2 (0.55) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL3362347 0.91 EPHX2 (0.55) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL3361182 0.89 ALDH1A1 (0.39) DGKAPRSS1PRSS2PRSS3DNM1

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 2 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