SCHEMBL15564415

SCHEMBL15564415

O=C(O)CC1CCCN(Cc2cccc3ccc(OC4CCC(C(F)(F)F)CC4)c(C(F)(F)F)c23)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.47
S1PR5 Q9H228 3/20 0.43
LPAR1 Q92633 1/20 0.39
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR4 O95977 1/20 0.37
CYP2C8 P10632 1/20 0.37
KCNH2 Q12809 1/20 0.37
FFAR1 O14842 1/20 0.36
LTA4H P09960 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16860097 1.00 ENPP2 (0.47) ENPP2S1PR5LPAR1S1PR1S1PR3
SCHEMBL15564413 1.00 ENPP2 (0.47) ENPP2S1PR5LPAR1S1PR1S1PR3
SCHEMBL15565252 0.93 ENPP2 (0.44) ENPP2S1PR5S1PR1S1PR3S1PR4
SCHEMBL16860094 0.93 ENPP2 (0.44) ENPP2S1PR5S1PR1S1PR3S1PR4
SCHEMBL16860095 0.93 ENPP2 (0.44) ENPP2S1PR5S1PR1S1PR3S1PR4
SCHEMBL15565778 0.89 ENPP2 (0.42) ENPP2S1PR5LPAR1FFAR1ALDH1A1
SCHEMBL16860090 0.89 ENPP2 (0.42) ENPP2S1PR5LPAR1FFAR1ALDH1A1
SCHEMBL15565780 0.89 ENPP2 (0.42) ENPP2S1PR5LPAR1FFAR1ALDH1A1
SCHEMBL16860089 0.88 ENPP2 (0.49) ENPP2S1PR5LPAR1FFAR1LTA4H
SCHEMBL15565749 0.88 ENPP2 (0.49) ENPP2S1PR5LPAR1FFAR1LTA4H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2879673-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-10 EP claimed
WO-2014025709-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 WO claimed
EP-2879673-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-10 EP disclosed
WO-2014025709-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 WO disclosed