SCHEMBL3410348

SCHEMBL3410348

CCCCCCCCCCCC=CC=CC=CC=CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C=CC=CC=CC=CCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.56
LPAR1 Q92633 9/20 0.52
LPAR3 Q9UBY5 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
S1PR1 P21453 3/20 0.50
LPAR4 Q99677 2/20 0.48
LPAR5 Q9H1C0 2/20 0.48
LPAR2 Q9HBW0 2/20 0.48
CES2 O00748 1/20 0.48
LPAR6 P43657 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
S1PR4 O95977 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 2/20 0.46
S1PR2 O95136 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSPO P30536 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL234397 1.00 ENPP2 (0.56) ENPP2LPAR1LPAR3SMN1; SMN2S1PR1
SCHEMBL1295800 0.99 ENPP2 (0.57) ENPP2LPAR1LPAR3SMN1; SMN2S1PR1
SCHEMBL1295557 0.99 ENPP2 (0.57) ENPP2LPAR1LPAR3SMN1; SMN2S1PR1
SCHEMBL2947211 0.91 ENPP2 (0.69) ENPP2LPAR1LPAR3SMN1; SMN2S1PR1
SCHEMBL234818 0.91 ENPP2 (0.69) ENPP2LPAR1LPAR3SMN1; SMN2S1PR1
SCHEMBL30553865 0.91 ENPP2 (0.60) ENPP2LPAR1LPAR3SMN1; SMN2S1PR1
SCHEMBL7057551 0.91 PRKCA (0.47) ALDH1A1
SCHEMBL7057555 0.91 PRKCA (0.47) ALDH1A1
SCHEMBL9641266 0.91 PRKCA (0.47) ALDH1A1
SCHEMBL9641260 0.91 PRKCA (0.47) ALDH1A1

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-2010126319-A2 LIPOPEPTIDE WITH SPECIFIC AFFINITY TO THE FC REGION OF AN ANTIBODY, AND ANTIGEN-RECOGNIZING LIPID NANOPARTICLE COMPRISING SAME 고려대학교 산학협력단 (KR) 2010-11-04 WO disclosed