SCHEMBL534902

SCHEMBL534902

COCc1cc(-c2nc(-c3ccc(C=O)c(C)c3)no2)ccc1-c1ccccc1C.COCc1cc(-c2nc(-c3ccc(C=O)cc3C)no2)ccc1-c1ccccc1C.Cc1ccccc1-c1ccc(-c2nc(-c3ccc(C=O)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.53
S1PR3 Q99500 2/20 0.52

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
SCHEMBL410385 0.85 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL410159 0.85 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL14916846 0.84 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL321229 0.82 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL2774065 0.80 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL14916990 0.78 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL536640 0.77 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL29962954 0.77 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL320619 0.74 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL29963281 0.73 S1PR1 (0.60) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed