SCHEMBL23925264

SCHEMBL23925264

CCCCCCCCCCCCC/C=C/C(O)C(COP(=O)(O)O)N(C=O)C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 3/20 0.67
▸ S1PR4 O95977 2/20 0.65
▸ S1PR1 P21453 2/20 0.65
▸ S1PR3 Q99500 2/20 0.65
▸ S1PR5 Q9H228 2/20 0.65
▸ S1PR2 O95136 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ TSPO P30536 1/20 0.65
▸ TMEM97 Q5BJF2 1/20 0.65
▸ SIGMAR1 Q99720 1/20 0.65
▸ SGPL1 O95470 4/20 0.60
▸ LPAR1 Q92633 6/20 0.49
▸ LPAR3 Q9UBY5 4/20 0.49
▸ ENPP2 Q13822 2/20 0.49
▸ LPAR4 Q99677 2/20 0.49
▸ LPAR5 Q9H1C0 2/20 0.49
▸ LPAR2 Q9HBW0 2/20 0.49
▸ CES2 O00748 1/20 0.49
▸ LPAR6 P43657 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL22911020 0.87 PLA2G4A (0.73) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL3768316 0.87 PLA2G4A (0.73) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL13030815 0.81 S1PR4 (0.75) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL5500454 0.81 S1PR4 (0.75) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL18993886 0.80 S1PR4 (0.73) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL29455695 0.80 SPHK2 (0.70) ALDH1A1SPHK2SPHK1CETP
SCHEMBL3777505 0.80 S1PR1 (0.68) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL20798182 0.79 S1PR1 (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL22910837 0.79 S1PR1 (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL3885 0.79 S1PR1 (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5

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-2021207858-A1 DIAGNOSIS AND TREATMENT OF COVID-19 LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2021-10-21 — — WO disclosed
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