SCHEMBL4015891

SCHEMBL4015891

COc1ccc(CCCC(=O)c2ccc(CCC(C)(N)COP(=O)(O)O)n2C)cc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.83
S1PR3 Q99500 18/20 0.83
S1PR5 Q9H228 5/20 0.83
S1PR4 O95977 4/20 0.49
S1PR2 O95136 1/20 0.38

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
SCHEMBL4015886 0.94 S1PR1 (0.72) S1PR1S1PR3S1PR5S1PR4
SCHEMBL385162 0.91 S1PR1 (1.00) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL386170 0.90 S1PR1 (0.84) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4015784 0.88 S1PR1 (0.81) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL385591 0.87 S1PR1 (0.80) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL386701 0.87 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL385675 0.87 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL1453217 0.86 S1PR1 (0.61) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386975 0.86 S1PR1 (0.61) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386292 0.86 S1PR1 (0.81) S1PR1S1PR3S1PR5S1PR4S1PR2

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-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP claimed