SCHEMBL2125352

SCHEMBL2125352

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.66
S1PR1 P21453 1/20 0.64
CNR1 P21554 2/20 0.63
CNR2 P34972 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
PRKCE Q02156 1/20 0.62
PRKCQ Q04759 1/20 0.62
PRKCD Q05655 1/20 0.62
PRKCA P17252 1/20 0.62
ENPP2 Q13822 3/20 0.61
SELP P16109 1/20 0.60
MGLL Q99685 1/20 0.57
LPAR1 Q92633 5/20 0.56
LPAR4 Q99677 2/20 0.56
LPAR5 Q9H1C0 2/20 0.56
LPAR2 Q9HBW0 2/20 0.56
LPAR3 Q9UBY5 2/20 0.56
CES2 O00748 1/20 0.56

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
SCHEMBL8911249 0.93 PRKCA (0.73) S1PR1PRKCEPRKCQPRKCDPRKCA
SCHEMBL8002666 0.93 PRKCA (0.73) S1PR1PRKCEPRKCQPRKCDPRKCA
SCHEMBL2126223 0.93 PRKCA (0.73) S1PR1PRKCEPRKCQPRKCDPRKCA
SCHEMBL64083 0.92 PRKCA (0.71) S1PR1PRKCEPRKCQPRKCDPRKCA
Glycerin SCHEMBL28136461 0.88 DGKA (0.70) FAAHS1PR1PRKCEPRKCQPRKCD
SCHEMBL30668211 0.86 ENPP2 (0.75) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL8470069 0.85 PRKCA (0.85) FAAHS1PR1CNR1CNR2ALDH1A1
SCHEMBL8049295 0.85 PRKCA (0.85) FAAHS1PR1CNR1CNR2ALDH1A1
SCHEMBL30864682 0.85 PRKCA (0.85) FAAHS1PR1CNR1CNR2ALDH1A1
SCHEMBL8049286 0.85 PRKCA (0.85) FAAHS1PR1CNR1CNR2ALDH1A1

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-2444464-A1 Novel neutral (bio)material Centre National de la Recherche Scientifique (CNRS) (FR) 2012-04-25 EP claimed
EP-3467505-A1 LIPID BASED BIOMARKER FOR MULTIPLE SCLEROSIS Fraunhofer Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2019-04-10 EP disclosed