SCHEMBL933837

SCHEMBL933837

CC(C)Cc1ccc(COc2ccc3c(c2)cc2n3CCN[C@H]2CC(=O)O)cc1C(F)(F)F

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 3/20 0.54
S1PR4 O95977 2/20 0.54

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
SCHEMBL951024 1.00 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL933838 1.00 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL946322 0.88 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2020969 0.87 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL2015809 0.87 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL2020677 0.87 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL945132 0.80 S1PR1 (0.65) S1PR1S1PR5S1PR4
SCHEMBL2019890 0.79 S1PR1 (0.66) S1PR1S1PR5S1PR4
SCHEMBL948764 0.77 S1PR1 (0.63) S1PR1S1PR5S1PR4
SCHEMBL947377 0.75 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 1 patent. 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 disclosed