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Sugi Predict / Compounds / SCHEMBL534944

SCHEMBL534944

SCHEMBL534944

COC(C)c1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)cc3)no2)ccc1-c1ccccc1C.Cc1ccccc1-c1ccc(-c2nc(-c3ccc(COCC(=O)O)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.49
▸ S1PR3 Q99500 6/20 0.40
▸ S1PR5 Q9H228 5/20 0.40

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
SCHEMBL406640 0.89 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL409645 0.86 S1PR1 (0.58) S1PR1S1PR3S1PR5
SCHEMBL536067 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL408738 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL3716382 0.84 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL534739 0.82 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL3717257 0.82 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL406840 0.81 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL558227 0.81 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL409492 0.80 S1PR1 (0.58) S1PR1S1PR3S1PR5

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 2 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
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed