SCHEMBL19789626

SCHEMBL19789626

C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)C1=CC2=C(CN(CCC(=O)O)CC2)[C@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.54
S1PR3 Q99500 15/20 0.54
S1PR4 O95977 1/20 0.49
S1PR5 Q9H228 1/20 0.49

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
SCHEMBL1786493 0.81 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1567290 0.81 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2168010 0.71 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2180247 0.71 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1567321 0.71 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1567318 0.71 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL21958845 0.70 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1568166 0.70 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1568163 0.70 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL27876603 0.69 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272736-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2018-01-24 EP disclosed