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Sugi Predict / Compounds / SCHEMBL535202

SCHEMBL535202

SCHEMBL535202

COCc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)c(Cl)c3)no2)ccc1-c1ccccc1C.COCc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)cc3)no2)ccc1-c1cc(F)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 2)

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

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
SCHEMBL405204 0.92 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL408561 0.91 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL408346 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL409006 0.87 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL410684 0.86 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL2774885 0.86 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL406842 0.85 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL409957 0.85 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL408444 0.85 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL409713 0.84 S1PR1 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 — — EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (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