SCHEMBL27870802

SCHEMBL27870802

CCc1ccc(O)c(Sc2ccc(CCC(C)(N)COP(=O)(O)O)c(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.47
S1PR3 Q99500 9/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR4 O95977 2/20 0.42

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
SCHEMBL2131534 1.00 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2128272 0.94 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27854198 0.90 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2129763 0.90 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2128875 0.89 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2129105 0.88 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2128092 0.87 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2129980 0.87 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27854187 0.87 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2131198 0.86 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4

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-102471355-A Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN SEIYAKU KK 2012-05-23 CN disclosed