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SCHEMBL1742464

SCHEMBL1742464

CC1(C)CCc2c(cncc2-c2nc(-c3ccc(S(=O)(=O)NCCC(=O)O)c(Cl)c3)no2)C1.CCc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)c(C)nc1CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.37
▸ S1PR3 Q99500 10/20 0.37
▸ S1PR5 Q9H228 4/20 0.32
▸ TSHR P16473 1/20 0.30

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
SCHEMBL1742465 0.93 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL1338485 0.90 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL1743666 0.87 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL1336484 0.85 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1337962 0.81 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL1743669 0.80 PIK3CD (0.32) S1PR1S1PR3TSHR
SCHEMBL1338692 0.79 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1337433 0.79 S1PR1 (0.38) S1PR1S1PR3TSHR
SCHEMBL13263464 0.77 S1PR1 (0.39) S1PR1S1PR3S1PR5
SCHEMBL2467606 0.73 S1PR1 (0.37) 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