SCHEMBL17510080

SCHEMBL17510080

O=C(O)OC1CCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3OC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.40
ALOX5 P09917 1/20 0.38
S1PR4 O95977 4/20 0.37
S1PR5 Q9H228 4/20 0.37
SLC6A5 Q9Y345 1/20 0.36
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
S1PR3 Q99500 1/20 0.35
FAAH O00519 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL17510093 0.91 MAPK1 (0.40) S1PR1ALOX5S1PR4S1PR5HTR2C
SCHEMBL2327510 0.91 S1PR1 (0.43) S1PR1ALOX5S1PR4S1PR5SLC6A5
Hydrochloric Acid SCHEMBL17530055 0.90 S1PR1 (0.43) S1PR1ALOX5S1PR4S1PR5SLC6A5
SCHEMBL10088987 0.86 ALDH1A1 (0.46)
SCHEMBL2327269 0.86 S1PR1 (0.45) S1PR1S1PR4S1PR5S1PR3
SCHEMBL10088834 0.84 ENPP2 (0.44) S1PR1ALOX5S1PR4S1PR5S1PR3
SCHEMBL10088838 0.84 S1PR1 (0.43) S1PR1ALOX5S1PR4S1PR5S1PR3
SCHEMBL10089046 0.83 ALOX5 (0.38) S1PR1ALOX5S1PR4S1PR5
SCHEMBL10089073 0.83 ALOX5 (0.38) S1PR1ALOX5S1PR4S1PR5
SCHEMBL10088832 0.82 S1PR1 (0.43) S1PR1ALOX5S1PR4S1PR5S1PR3

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