SCHEMBL3920402

SCHEMBL3920402

CCCCCCCCCCCCCC(=O)OCCNC(=N)NC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.59
DNM1 Q05193 1/20 0.50
EPHX2 P34913 4/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PAM P19021 2/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.44
PRKCA P17252 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
NAAA Q02083 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
SCHEMBL3923877 1.00 DGKA (0.59) DGKADNM1EPHX2ALDH1A1LMNA
SCHEMBL3922163 1.00 DGKA (0.59) DGKADNM1EPHX2ALDH1A1LMNA
SCHEMBL3360953 1.00 DGKA (0.59) DGKADNM1EPHX2ALDH1A1LMNA
SCHEMBL3929539 1.00 DGKA (0.59) DGKADNM1EPHX2ALDH1A1LMNA
SCHEMBL3359626 1.00 DGKA (0.59) DGKADNM1EPHX2ALDH1A1LMNA
SCHEMBL3919787 0.98 DGKA (0.56) DGKADNM1EPHX2ALDH1A1LMNA
SCHEMBL3928604 0.92 EPHX2 (0.56) DGKAEPHX2ALDH1A1MAPTPRKCA
SCHEMBL3921783 0.92 EPHX2 (0.56) DGKAEPHX2ALDH1A1MAPTPRKCA
SCHEMBL3921532 0.87 ALDH1A1 (0.40) DGKADNM1EPHX2ALDH1A1EPHX1
SCHEMBL4104465 0.84 EPHX2 (0.45) DGKADNM1EPHX2ALDH1A1LMNA

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