SCHEMBL17510083

SCHEMBL17510083

C[C@H](Oc1ccc(COc2ccc3c(c2)OCC(CN2CCC[C@@H](OC(=O)O)C2)=C3)cc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.43
S1PR4 O95977 3/20 0.40
S1PR5 Q9H228 3/20 0.40
MAPK1 P28482 1/20 0.38
ALOX5 P09917 1/20 0.35
FFAR1 O14842 3/20 0.34
S1PR3 Q99500 1/20 0.34
BCHE P06276 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL2322270 0.91 S1PR1 (0.44) S1PR1S1PR4S1PR5MAPK1S1PR3
Hydrochloric Acid SCHEMBL2385356 0.91 S1PR1 (0.43) S1PR1S1PR4S1PR5MAPK1S1PR3
SCHEMBL17510093 0.90 MAPK1 (0.40) S1PR1S1PR4S1PR5MAPK1ALOX5
SCHEMBL2385531 0.88 L3MBTL1 (0.48) S1PR1MAPK1L3MBTL1
SCHEMBL10089083 0.87 S1PR1 (0.46) S1PR1S1PR4S1PR5ALOX5S1PR3
SCHEMBL10088839 0.87 S1PR1 (0.43) S1PR1S1PR4S1PR5ALOX5FFAR1
SCHEMBL10089061 0.87 S1PR1 (0.46) S1PR1S1PR4S1PR5S1PR3
SCHEMBL10310529 0.86 S1PR1 (0.49) S1PR1S1PR4S1PR5MAPK1S1PR3
SCHEMBL10088825 0.86 S1PR1 (0.49) S1PR1S1PR4S1PR5MAPK1S1PR3
SCHEMBL10089066 0.86 S1PR1 (0.47) S1PR1S1PR4S1PR5ALOX5FFAR1

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