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SCHEMBL950551

SCHEMBL950551

O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(OC(CF)CF)c(Cl)c3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 1.00
▸ S1PR5 Q9H228 2/20 0.49
▸ S1PR4 O95977 1/20 0.45

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
SCHEMBL2022225 0.87 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL2017187 0.87 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL2209270 0.87 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL950227 0.83 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL12944511 0.82 S1PR1 (0.79) S1PR1S1PR5S1PR4
SCHEMBL945943 0.80 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL948164 0.80 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2017098 0.79 S1PR1 (0.65) S1PR1S1PR5S1PR4
SCHEMBL946202 0.76 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL946256 0.76 S1PR1 (1.00) S1PR1S1PR5S1PR4

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
WO-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 — — WO claimed
WO-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 — — WO disclosed