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SCHEMBL4019428

SCHEMBL4019428

Cc1cc(C)cc(CCCC(=O)c2ccc(CCC(C)(N)COP(=O)(OCC(C)(N)CCc3ccc(C(=O)CCCc4cc(C)cc(C)c4)n3C)OCC(C)(N)CCc3ccc(C(=O)CCCc4cc(C)cc(C)c4)n3C)n2C)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.73
▸ S1PR3 Q99500 9/20 0.73
▸ S1PR5 Q9H228 3/20 0.73
▸ S1PR4 O95977 2/20 0.34

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
SCHEMBL386084 0.93 S1PR1 (0.84) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4016195 0.89 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4
SCHEMBL385523 0.86 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL3509474 0.86 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL4015886 0.86 S1PR1 (0.72) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4015779 0.85 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4
SCHEMBL385162 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4017370 0.84 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL3512386 0.83 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL3512065 0.83 S1PR1 (0.57) S1PR1S1PR3S1PR5

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