SCHEMBL2561998

SCHEMBL2561998

CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)COP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 1.00
S1PR4 O95977 2/20 1.00
S1PR3 Q99500 2/20 1.00
S1PR5 Q9H228 2/20 1.00
ALDH1A1 P00352 2/20 1.00
S1PR2 O95136 1/20 1.00
TSPO P30536 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
SGPL1 O95470 4/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
PLA2G4A P47712 3/20 0.61
MAPT P10636 3/20 0.60
GMNN O75496 2/20 0.60
LMNA P02545 2/20 0.60
GLA P06280 2/20 0.60
POLB P06746 2/20 0.60
THRB P10828 2/20 0.60
CETP P11597 2/20 0.60

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
SCHEMBL29438139 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL17482409 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL12766764 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL6055753 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8736952 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL3517452 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL3885 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL22910837 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL20798182 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL29963390 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871920-B2 Lipid binding nucleic acids NOXXON PHARMA AG (DE) 2014-10-28 US disclosed
US-20130165501-A1 Lipid Binding Nucleic Acids NOXXON PHARMA AG (DE) 2013-06-27 US disclosed
EP-2561079-A1 LIPID BINDING NUCLEIC ACIDS Noxxon Pharma AG (DE) 2013-02-27 EP disclosed
WO-2011131371-A1 LIPID BINDING NUCLEIC ACIDS NOXXON PHARMA AG (DE) 2011-10-27 WO disclosed