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SCHEMBL3663121

SCHEMBL3663121

CC(C)COC(=O)CCN1CCc2cccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c2CC1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.82
▸ S1PR3 Q99500 8/20 0.67
▸ CYP2C9 P11712 2/20 0.58
▸ S1PR5 Q9H228 1/20 0.51

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
SCHEMBL2986633 0.90 S1PR1 (1.00) S1PR1S1PR3CYP2C9S1PR5
SCHEMBL2990609 0.90 S1PR1 (0.82) S1PR1S1PR3CYP2C9
Hydrochloric Acid SCHEMBL2981807 0.89 S1PR1 (0.98) S1PR1S1PR3CYP2C9S1PR5
SCHEMBL3070993 0.85 S1PR1 (1.00) S1PR1S1PR3CYP2C9
Hydrochloric Acid SCHEMBL2995668 0.85 S1PR1 (0.98) S1PR1S1PR3CYP2C9
SCHEMBL3067167 0.84 S1PR1 (0.83) S1PR1S1PR3CYP2C9
SCHEMBL3664398 0.84 S1PR1 (0.81) S1PR1S1PR3CYP2C9
SCHEMBL10455598 0.82 S1PR1 (0.81) S1PR1S1PR3CYP2C9
SCHEMBL13765627 0.81 S1PR1 (0.84) S1PR1S1PR3CYP2C9S1PR5
SCHEMBL1964979 0.81 S1PR1 (0.80) S1PR1S1PR3CYP2C9S1PR5

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-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 — — EP disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 — — WO disclosed