SCHEMBL2927103

SCHEMBL2927103

CC(C)Oc1ccc(-c2nc(-c3ccc(Cn4ccc(OC(=O)O)n4)cc3)no2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 10/20 0.56
S1PR5 Q9H228 6/20 0.56
KCNH2 Q12809 2/20 0.50

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
SCHEMBL2934990 0.91 S1PR1 (0.57) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2927101 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2930307 0.88 MAP4K4 (0.59) S1PR1S1PR3S1PR5
SCHEMBL2933550 0.85 S1PR1 (0.54) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2937523 0.80 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL2934987 0.80 S1PR1 (0.59) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2934947 0.79 S1PR1 (0.58) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2934951 0.79 S1PR1 (0.58) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2933666 0.78 S1PR1 (0.64) S1PR1S1PR5
SCHEMBL2131514 0.78 S1PR1 (0.65) S1PR1S1PR3S1PR5KCNH2

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
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP claimed