SCHEMBL17510091

SCHEMBL17510091

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
MAPK1 P28482 1/20 0.34
DRD4 P21917 7/20 0.34
SIGMAR1 Q99720 4/20 0.33
TMEM97 Q5BJF2 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
S1PR3 Q99500 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17510092 0.92 S1PR1 (0.37) S1PR1S1PR4S1PR5MAPK1DRD4
SCHEMBL17510090 0.92 S1PR1 (0.37) S1PR1S1PR4S1PR5MAPK1DRD4
SCHEMBL2329535 0.91 S1PR5 (0.44) S1PR1S1PR4S1PR5MAPK1KDM4E
SCHEMBL17510093 0.89 MAPK1 (0.40) S1PR1S1PR4S1PR5MAPK1HRH3
SCHEMBL17527160 0.87 S1PR1 (0.34) S1PR1S1PR4S1PR5MAPK1DRD4
SCHEMBL10089053 0.86 L3MBTL1 (0.48) MAPK1KDM4EL3MBTL1
SCHEMBL10088893 0.85 S1PR5 (0.43) S1PR1S1PR4S1PR5MAPK1KDM4E
SCHEMBL2321515 0.84 S1PR1 (0.41) S1PR1S1PR4S1PR5MAPK1S1PR3
SCHEMBL2324819 0.84 S1PR1 (0.41) S1PR1S1PR4S1PR5MAPK1S1PR3
SCHEMBL17510081 0.84 S1PR1 (0.41) S1PR1S1PR5MAPK1DRD4SIGMAR1

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