SCHEMBL1015477

SCHEMBL1015477

CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)nccc34)no2)cc1Cl.N#Cc1cc(-c2nc(-c3cccc4c(CCC(=O)O)nccc34)no2)ccc1OCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 7/20 0.56
S1PR5 Q9H228 7/20 0.56

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
SCHEMBL1015480 0.94 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL1012986 0.89 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL1014761 0.86 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL1015139 0.85 S1PR1 (0.66) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1014089 0.85 S1PR1 (0.56) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1015593 0.85 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL1015094 0.84 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL1016210 0.84 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL1013233 0.83 S1PR1 (0.64) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1081547 0.83 S1PR1 (0.51) S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP claimed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO claimed