SCHEMBL17510093

SCHEMBL17510093

O=C(O)O[C@@H]1CCCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3OC2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
S1PR1 P21453 13/20 0.38
S1PR4 O95977 4/20 0.37
S1PR5 Q9H228 4/20 0.37
ALOX5 P09917 1/20 0.36
S1PR3 Q99500 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 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
SCHEMBL17510080 0.91 S1PR1 (0.40) S1PR1S1PR4S1PR5ALOX5S1PR3
SCHEMBL2327269 0.91 S1PR1 (0.45) MAPK1S1PR1S1PR4S1PR5S1PR3
SCHEMBL17510083 0.90 S1PR1 (0.43) MAPK1S1PR1S1PR4S1PR5ALOX5
SCHEMBL17510091 0.89 S1PR1 (0.36) MAPK1S1PR1S1PR4S1PR5S1PR3
SCHEMBL10088985 0.86 L3MBTL1 (0.51) MAPK1L3MBTL1
SCHEMBL2327510 0.85 S1PR1 (0.43) S1PR1S1PR4S1PR5ALOX5S1PR3
SCHEMBL10088833 0.85 S1PR5 (0.43) MAPK1S1PR1S1PR4S1PR5S1PR3
SCHEMBL10088829 0.85 MAPK1 (0.45) MAPK1S1PR1S1PR4S1PR5S1PR3
Hydrochloric Acid SCHEMBL17530055 0.85 S1PR1 (0.43) S1PR1S1PR4S1PR5ALOX5S1PR3
SCHEMBL10088857 0.83 S1PR1 (0.42) MAPK1S1PR1S1PR4S1PR5S1PR3

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