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SCHEMBL536154

SCHEMBL536154

CCOC(=O)CCNC(=O)c1ccc(-c2noc(-c3ccc(N4CCCCC4C)c(COC)c3)n2)cc1F.COCc1cc(-c2nc(-c3cccc(COC(C(=O)O)C(C)(C)C)c3)no2)ccc1N1CCCCC1C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 18/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ TP53 P04637 1/20 0.36

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
SCHEMBL406032 0.89 S1PR1 (0.47) S1PR1S1PR3TP53
SCHEMBL410212 0.86 S1PR1 (0.47) S1PR1S1PR3TP53
SCHEMBL408842 0.83 S1PR1 (0.49) S1PR1S1PR3TP53
SCHEMBL2810611 0.79 S1PR1 (0.54) S1PR1S1PR3TP53
SCHEMBL405194 0.78 S1PR1 (0.59) S1PR1TP53
SCHEMBL2807867 0.76 S1PR1 (0.52) S1PR1S1PR3TP53
SCHEMBL2804109 0.76 S1PR1 (0.49) S1PR1S1PR3TP53
SCHEMBL410117 0.75 S1PR1 (0.59) S1PR1S1PR3TP53
SCHEMBL2774541 0.75 S1PR1 (0.51) S1PR1S1PR3TP53
SCHEMBL436781 0.75 S1PR1 (0.59) S1PR1S1PR3TP53

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-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed