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SCHEMBL2126589

SCHEMBL2126589

CCC(CC(=O)O)c1ccc(-c2noc(-c3cnc(OC(C)C)c(Cl)c3)n2)c2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.56
▸ S1PR3 Q99500 4/20 0.55
▸ S1PR5 Q9H228 3/20 0.55

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
SCHEMBL2125694 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL2129295 0.86 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2124655 0.83 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL2125956 0.83 S1PR1 (0.66) S1PR1S1PR3S1PR5
SCHEMBL2132588 0.82 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL2121974 0.81 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL2126741 0.80 S1PR1 (0.79) S1PR1S1PR3S1PR5
SCHEMBL2121730 0.80 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL2129099 0.79 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL2121808 0.79 S1PR1 (0.57) 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-2443111-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 — — EP disclosed
WO-2010145203-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 — — WO disclosed