SCHEMBL3664588

SCHEMBL3664588

CC(C)(C)OC(=O)NCCOc1ccc(Br)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
AAK1 Q2M2I8 7/20 0.47
RAB9A P51151 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
IDO1 P14902 1/20 0.44
HPGD P15428 1/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDK2 Q15119 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL31597704 1.00 CA12 (0.47) CA12CA1CA2CA9AAK1
SCHEMBL17957502 0.91 PTGDR2 (0.53) CA12CA1CA2CA9AAK1
SCHEMBL31078591 0.91 CA12 (0.49) CA12CA1CA2CA9AAK1
SCHEMBL2989527 0.90 CA12 (0.46) CA12CA1CA2CA9AAK1
SCHEMBL32055954 0.90 CA12 (0.46) CA12CA1CA2CA9AAK1
SCHEMBL26001198 0.88 CA12 (0.50) CA12CA1CA2CA9AAK1
SCHEMBL17958070 0.88 PTPN11 (0.48) CA12CA1CA2CA9IDO1
SCHEMBL38652880 0.87 AAK1 (0.47) CA12CA1CA2CA9AAK1
SCHEMBL31597645 0.87 AAK1 (0.47) CA12CA1CA2CA9AAK1
SCHEMBL20471909 0.87 CA12 (0.46) CA12CA1CA2CA9AAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed