SCHEMBL27644459

SCHEMBL27644459

O=C(O)C1CN(Cc2ccc(C(S)c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 15/20 0.55
S1PR1 P21453 18/20 0.52
S1PR4 O95977 8/20 0.52
S1PR3 Q99500 7/20 0.52
GRK5 P34947 1/20 0.50
CDK8 P49336 1/20 0.50
PDGFRA P16234 1/20 0.46

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
SCHEMBL5851485 0.91 S1PR1 (0.46) S1PR5S1PR1S1PR4S1PR3GRK5
SCHEMBL27624823 0.83 S1PR5 (0.55) S1PR5S1PR1S1PR4S1PR3
SCHEMBL4664486 0.80 S1PR5 (0.56) S1PR5S1PR1S1PR4S1PR3GRK5
SCHEMBL4662867 0.80 S1PR5 (0.55) S1PR5S1PR1S1PR4S1PR3GRK5
SCHEMBL2638547 0.75 S1PR1 (0.53) S1PR5S1PR1S1PR4S1PR3GRK5
SCHEMBL13233711 0.75 S1PR1 (0.54) S1PR5S1PR1S1PR4S1PR3
SCHEMBL2941432 0.75 S1PR1 (0.61) S1PR5S1PR1S1PR4S1PR3
SCHEMBL1567838 0.74 S1PR1 (0.63) S1PR5S1PR1S1PR4S1PR3PDGFRA
SCHEMBL12631603 0.74 S1PR1 (0.63) S1PR5S1PR1S1PR4S1PR3PDGFRA
SCHEMBL1567840 0.74 S1PR1 (0.63) S1PR5S1PR1S1PR4S1PR3PDGFRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1787817-B Immunosuppressant compounds and compositions IRM LLC 2011-09-07 CN claimed
CN-1787817-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-14 CN claimed
CN-1787817-B Immunosuppressant compounds and compositions IRM LLC 2011-09-07 CN disclosed
CN-1787817-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-14 CN disclosed