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Sugi Predict / Compounds / SCHEMBL1743919

SCHEMBL1743919

SCHEMBL1743919

Cc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)cc(C)c1CCC(=O)NCC(=O)O.Cc1cc(CCN)ccc1-c1noc(-c2cncc3c2CCC(C)(C)C3)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.38
▸ S1PR3 Q99500 16/20 0.37
▸ S1PR5 Q9H228 13/20 0.37

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
SCHEMBL1337849 0.91 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1742511 0.89 S1PR1 (0.39) S1PR1S1PR3S1PR5
SCHEMBL1743920 0.86 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL1337485 0.84 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL1336483 0.82 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL1337953 0.82 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL1742513 0.82 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL1338349 0.81 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL1336486 0.81 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1338630 0.81 S1PR1 (0.36) 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 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