SCHEMBL10078508

SCHEMBL10078508

CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)N[C@@H](C)C(=O)O)c[nH]c34)no2)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.83
S1PR3 Q99500 2/20 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
SCHEMBL10078507 1.00 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL1420346 0.91 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1609502 0.88 S1PR1 (0.82) S1PR1S1PR3
SCHEMBL1609204 0.87 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1420769 0.86 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL10078501 0.86 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL1420839 0.86 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL10078502 0.86 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL1609456 0.85 S1PR1 (0.79) S1PR1
SCHEMBL1609291 0.85 S1PR1 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US claimed