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SCHEMBL4663090

SCHEMBL4663090

O=C(O)CCNCc1ccc(CC=NOCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 17/20 0.52
▸ PPARA Q07869 1/20 0.41
▸ S1PR3 Q99500 3/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 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
SCHEMBL2639119 0.91 S1PR1 (0.49) S1PR1S1PR3FFAR1FFAR4
SCHEMBL2639905 0.88 S1PR1 (0.67) S1PR1S1PR3FFAR1
SCHEMBL2638267 0.86 S1PR1 (0.66) S1PR1S1PR3FFAR4
SCHEMBL4666420 0.86 S1PR1 (0.64) S1PR1FFAR1FFAR4
SCHEMBL2640104 0.84 S1PR1 (0.67) S1PR1S1PR3FFAR1
SCHEMBL2638801 0.83 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL4664504 0.82 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1567281 0.81 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL12631605 0.81 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1567282 0.81 S1PR1 (0.79) 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-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 — — EP disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 — — EP disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 — — WO disclosed