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SCHEMBL2728100

SCHEMBL2728100

CCOC(=O)CCc1cc(F)cc(-c2coc(-c3cnc(OC(C)C)c(Cl)c3)n2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.54
▸ S1PR5 Q9H228 3/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ SCN9A Q15858 8/20 0.34
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL2133181 0.87 S1PR1 (0.54) S1PR1S1PR5S1PR3
SCHEMBL2135592 0.82 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL2132833 0.77 S1PR1 (0.63) S1PR1S1PR5S1PR3
SCHEMBL2719007 0.75 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL2134348 0.74 S1PR1 (0.56) S1PR1S1PR5S1PR3
SCHEMBL2134529 0.74 S1PR1 (0.59) S1PR1S1PR5S1PR3
SCHEMBL1420432 0.74 S1PR1 (0.66) S1PR1S1PR5S1PR3
SCHEMBL2719004 0.72 S1PR1 (0.61) S1PR1S1PR5S1PR3
SCHEMBL2137395 0.70 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL2137957 0.70 S1PR1 (0.54) S1PR1S1PR5S1PR3

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-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 — — EP disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 — — WO disclosed