SCHEMBL2468086

SCHEMBL2468086

CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(OC(C)C)cc3C(F)(F)F)ccc21.CCOc1cc(CC(C)C)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.72
S1PR3 Q99500 8/20 0.72
S1PR4 O95977 1/20 0.61
S1PR5 Q9H228 1/20 0.61

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
SCHEMBL677118 0.91 S1PR1 (0.87) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1874061 0.90 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL676614 0.90 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1875727 0.88 S1PR1 (0.87) S1PR1S1PR3S1PR4S1PR5
SCHEMBL676636 0.87 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1869687 0.84 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL676623 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16143976 0.83 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16143828 0.83 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1878527 0.82 S1PR1 (0.68) 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-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed