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Sugi Predict / Compounds / SCHEMBL1742465

SCHEMBL1742465

SCHEMBL1742465

CCc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)c(C)nc1CCC(=O)OC(=O)CCNS(=O)(=O)c1ccc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.33
▸ S1PR3 Q99500 7/20 0.33

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
SCHEMBL1742464 0.93 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1743669 0.87 PIK3CD (0.32) S1PR1S1PR3
SCHEMBL1337962 0.84 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL1338485 0.83 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1338692 0.82 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1743666 0.81 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL1336484 0.78 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1338064 0.74 HDAC4 (0.36) S1PR1S1PR3
SCHEMBL1337433 0.72 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL13263464 0.71 S1PR1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 — — EP disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 — — US disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — WO disclosed