SCHEMBL2933666

SCHEMBL2933666

COc1ccc(-c2nc(-c3ccc(Cn4ccc(OC(=O)O)n4)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.64
S1PR5 Q9H228 1/20 0.54
TPH1 P17752 2/20 0.46

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
SCHEMBL2932163 0.88 S1PR1 (0.66) S1PR1S1PR5TPH1
SCHEMBL2934453 0.86 S1PR1 (0.61) S1PR1S1PR5
SCHEMBL2933616 0.85 S1PR1 (0.62) S1PR1S1PR5
SCHEMBL2935613 0.84 S1PR1 (0.44) S1PR1S1PR5
SCHEMBL2936062 0.84 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL2937505 0.83 S1PR1 (0.48) S1PR1S1PR5
SCHEMBL2930307 0.80 MAP4K4 (0.59) S1PR1S1PR5
SCHEMBL2934653 0.79 S1PR1 (0.57) S1PR1S1PR5
SCHEMBL20615475 0.78 S1PR1 (1.00) S1PR1S1PR5
SCHEMBL2936368 0.78 S1PR1 (0.54) S1PR1S1PR5

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