SCHEMBL4662791

SCHEMBL4662791

O=C(O)CCNCc1ccc(CC=NOCc2ccc(-c3ccsc3)cc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.57
S1PR3 Q99500 8/20 0.43
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2638613 0.89 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL2638745 0.86 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1567378 0.84 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1567376 0.84 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL4664504 0.77 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL2639905 0.76 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL4664536 0.76 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL2433683 0.76 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL2639815 0.75 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL4664648 0.75 S1PR1 (0.73) 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