SCHEMBL11949092

SCHEMBL11949092

Cc1cccc(Oc2ccc(CC[C@@](C)(N)COP(=O)(O)O)c(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 12/20 0.51
S1PR5 Q9H228 4/20 0.44
S1PR4 O95977 3/20 0.44

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
SCHEMBL11949086 0.95 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL15310448 0.95 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL11888795 0.87 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4
SCHEMBL11888796 0.87 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4
SCHEMBL11949091 0.83 S1PR1 (0.59) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4423227 0.82 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL4423223 0.82 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL11888781 0.82 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4
SCHEMBL15310353 0.82 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4
SCHEMBL11888769 0.82 S1PR1 (0.51) 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
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed