SCHEMBL3406019

SCHEMBL3406019

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H](CO)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.73
NR5A2 O00482 1/20 0.73
NR5A1 Q13285 1/20 0.73
RECQL P46063 1/20 0.68
MAPT P10636 1/20 0.64
S1PR1 P21453 2/20 0.63
PRKCA P17252 2/20 0.59
PRKCE Q02156 1/20 0.59
PRKCQ Q04759 1/20 0.59
PRKCD Q05655 1/20 0.59
DAGLA Q9Y4D2 1/20 0.58
ADRA1D P25100 1/20 0.58
PTAFR P25105 1/20 0.58
HTR1D P28221 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD3 P35462 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
MEN1 O00255 1/20 0.57

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
SCHEMBL29410678 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL30652061 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL3406499 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL3403745 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL3410573 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL3407855 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL753300 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL3405833 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL5053766 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL30521870 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1RECQL

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