SCHEMBL17240248

SCHEMBL17240248

CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.56
▸ S1PR3 Q99500 3/20 0.56
▸ S1PR4 O95977 2/20 0.56
▸ S1PR5 Q9H228 2/20 0.56
▸ LPAR3 Q9UBY5 7/20 0.54
▸ ENPP2 Q13822 7/20 0.54
▸ LPAR1 Q92633 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GSTM2 P28161 1/20 0.51
▸ LPAR2 Q9HBW0 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ NAPEPLD Q6IQ20 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL12272715 1.00 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5LPAR3
SCHEMBL15500035 1.00 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5LPAR3
SCHEMBL6762713 0.94 GSTM2 (0.57) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL4222844 0.91 FABP3 (0.50) S1PR1S1PR3S1PR4S1PR5LPAR3
SCHEMBL6510371 0.91 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5LPAR3
SCHEMBL6704299 0.91 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5LPAR3
SCHEMBL6759054 0.89 GSTM2 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL1535864 0.88 SMN1; SMN2 (0.61) S1PR1S1PR3S1PR4S1PR5SMN1; SMN2
SCHEMBL1436399 0.88 SMN1; SMN2 (0.61) S1PR1S1PR3S1PR4S1PR5SMN1; SMN2
SCHEMBL1535067 0.88 SMN1; SMN2 (0.61) S1PR1S1PR3S1PR4S1PR5SMN1; SMN2

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
US-20150323495-A1 NON-AQUEOUS MICROCHIP ELECTROPHORESIS FOR CHARACTERIZATION OF LIPID BIOMARKERS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-11-12 — — US disclosed
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