SCHEMBL17510092

SCHEMBL17510092

O=C(O)O[C@H]1CCCN(CC2=Cc3c(F)cc(OCc4ccc(OC(CF)CF)c(C(F)(F)F)c4)cc3OC2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.37
S1PR5 Q9H228 4/20 0.35
S1PR4 O95977 3/20 0.35
DRD4 P21917 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
PRKX P51817 1/20 0.32
IKBKE Q14164 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL17510090 1.00 S1PR1 (0.37) S1PR1S1PR5S1PR4DRD4SIGMAR1
SCHEMBL17510091 0.92 S1PR1 (0.36) S1PR1S1PR5S1PR4DRD4SIGMAR1
SCHEMBL2321515 0.91 S1PR1 (0.41) S1PR1S1PR5S1PR4PRKXIKBKE
SCHEMBL17510081 0.91 S1PR1 (0.41) S1PR1S1PR5DRD4SIGMAR1TMEM97
SCHEMBL2324819 0.91 S1PR1 (0.41) S1PR1S1PR5S1PR4PRKXIKBKE
SCHEMBL10088888 0.87 S1PR1 (0.42) S1PR1S1PR5S1PR4PRKXIKBKE
SCHEMBL2325671 0.85 MAPK1 (0.36) S1PR1S1PR5S1PR4MAPK1
SCHEMBL10089075 0.84 MAPK1 (0.36) S1PR1S1PR5S1PR4MAPK1
SCHEMBL12441586 0.84 MAPK1 (0.35) S1PR1S1PR5S1PR4MAPK1
SCHEMBL2329535 0.83 S1PR5 (0.44) S1PR1S1PR5S1PR4PRKXIKBKE

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-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP claimed