SCHEMBL1420657

SCHEMBL1420657

CC(C)Oc1ccc(-c2nc(-c3ccc(F)c4c(CCC(=O)O)c[nH]c34)no2)cc1C#N.CC(C)Oc1ncc(-c2nc(-c3ccc(F)c4c(CCC(=O)O)c[nH]c34)no2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.63
S1PR3 Q99500 5/20 0.56
S1PR5 Q9H228 5/20 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
SCHEMBL1420658 0.94 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL1420265 0.92 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL1420437 0.91 S1PR1 (0.75) S1PR1S1PR3S1PR5
SCHEMBL1420541 0.87 S1PR1 (0.75) S1PR1S1PR3S1PR5
SCHEMBL1420313 0.84 S1PR1 (0.78) S1PR1S1PR3S1PR5
SCHEMBL1420177 0.84 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL10300728 0.84 S1PR1 (0.75) S1PR1S1PR3S1PR5
SCHEMBL10300801 0.83 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL13536131 0.83 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL1420723 0.83 S1PR1 (0.63) 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-2297139-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-03-23 EP disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed