SCHEMBL1015630

SCHEMBL1015630

CC(C)COC(=O)CCc1nccc2c(-c3noc(-c4ccc(OCC5CC5)c(C#N)c4)n3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.52

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
SCHEMBL1015308 0.91 S1PR1 (0.57) S1PR1
SCHEMBL1016210 0.89 S1PR1 (0.55) S1PR1
SCHEMBL1015629 0.89 S1PR1 (0.54) S1PR1
SCHEMBL1016062 0.88 S1PR1 (0.58) S1PR1
SCHEMBL1015466 0.87 S1PR1 (0.47) S1PR1
SCHEMBL1014881 0.86 S1PR1 (0.42) S1PR1
SCHEMBL11983625 0.82 S1PR1 (0.48) S1PR1
Hydrochloric Acid SCHEMBL1014090 0.82 S1PR1 (0.48) S1PR1
SCHEMBL1015139 0.82 S1PR1 (0.66) S1PR1
SCHEMBL1014774 0.81 S1PR1 (0.56) S1PR1

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-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed