SCHEMBL15565252

SCHEMBL15565252

CC1CCC(Oc2ccc3cccc(CN4CCCC(CC(=O)O)C4)c3c2C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.44
S1PR5 Q9H228 2/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
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
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
LTA4H P09960 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
SCHEMBL16860094 1.00 ENPP2 (0.44) ENPP2S1PR5ALDH1A1LMNANPSR1
SCHEMBL16860095 1.00 ENPP2 (0.44) ENPP2S1PR5ALDH1A1LMNANPSR1
SCHEMBL15564413 0.93 ENPP2 (0.47) ENPP2S1PR5ALDH1A1LMNANPSR1
SCHEMBL15564415 0.93 ENPP2 (0.47) ENPP2S1PR5ALDH1A1LMNANPSR1
SCHEMBL16860097 0.93 ENPP2 (0.47) ENPP2S1PR5ALDH1A1LMNANPSR1
SCHEMBL16860080 0.91 ENPP2 (0.41) ENPP2ALDH1A1LMNANPSR1HTT
SCHEMBL15565277 0.91 ENPP2 (0.41) ENPP2ALDH1A1LMNANPSR1HTT
SCHEMBL15599972 0.91 ENPP2 (0.41) ENPP2ALDH1A1LMNANPSR1HTT
SCHEMBL16860077 0.87 ENPP2 (0.46) ENPP2S1PR5ALDH1A1LMNANPSR1
SCHEMBL15565128 0.87 ENPP2 (0.46) ENPP2S1PR5ALDH1A1LMNANPSR1

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