SCHEMBL27893201

SCHEMBL27893201

CC(=N)c1ccc(CNCCC(=O)O)cc1.Cc1ccc(-c2ccc(CO)cc2C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.69
S1PR3 Q99500 5/20 0.51
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL27893197 0.92 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL27893196 0.83 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1567286 0.82 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1567284 0.82 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL12631656 0.82 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL27893189 0.80 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL27876681 0.80 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL28798962 0.80 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL27876595 0.79 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL2639815 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1791395-B Immunosuppressant compounds and compositions IRM LLC 2012-09-26 CN disclosed