SCHEMBL4236289

SCHEMBL4236289

O=C(CCCCCCCC1CC(=O)N(O)C1=O)OCCO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.36
DGKA P23743 1/20 0.34
MGLL Q99685 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL14995959 0.73 DGKA (0.48) PRKCADGKAALDH1A1DNM1
SCHEMBL13056289 0.73 DGKA (0.48) PRKCADGKAALDH1A1DNM1
SCHEMBL14996161 0.73 DGKA (0.48) PRKCADGKAALDH1A1DNM1
SCHEMBL12565648 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1
SCHEMBL12565651 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1
SCHEMBL12565650 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1
SCHEMBL821584 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1
SCHEMBL28796910 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1
SCHEMBL176410 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1
SCHEMBL8065894 0.71 DGKA (0.60) PRKCADGKAMGLLDNM1

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
WO-2009047587-A1 MAGNETIC, PARAMAGNETIC AND/OR SUPERPARAMAGNETIC NANOPARTICLES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2009-04-16 WO disclosed