SCHEMBL472730

SCHEMBL472730

CCCCc1ccc(OC(c2ccc(CCCC)cc2CCCC)C(CO)(CO)COP(=O)(O)OP(=O)(O)O)c(CCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.41
S1PR3 Q99500 13/20 0.41
S1PR4 O95977 5/20 0.36
S1PR5 Q9H228 4/20 0.36
S1PR2 O95136 3/20 0.36

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
Pyrophosphoric Acid SCHEMBL472731 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL542764 0.84 HTT (0.38) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL28602349 0.81 HTT (0.42) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL2535755 0.80 THRA (0.38) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL9640517 0.80 HTT (0.41) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5014104 0.75 GABRA1 (0.40)
SCHEMBL14836979 0.73 BTN3A1 (0.35) S1PR1S1PR3
SCHEMBL4582266 0.73 S1PR1 (0.34) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1685721 0.72 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5013003 0.72 FUT7 (0.34)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389514-B2 TABLET, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE OBTAINED THEREFROM TORAY INDUSTRIES (JP) 2015-11-04 EP disclosed
EP-1389514-B1 TABLET, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE OBTAINED THEREFROM TORAY INDUSTRIES (JP) 2012-02-01 EP disclosed
US-7514144-B2 Tablet, process for producing the same, and molded article obtained therefrom TORAY INDUSTRIES, INC. (JP) 2009-04-07 US disclosed
US-20050098916-A1 Tablet, process for producing the same, and molded article obtained therefrom TORAY INDUSTRIES, INC., A CORPORATION OF JAPAN (JP) 2005-05-12 US disclosed
EP-1389514-A1 TABLET, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE OBTAINED THEREFROM TORAY INDUSTRIES, INC. (JP) 2004-02-18 EP disclosed