SCHEMBL15565129

SCHEMBL15565129

COC(=O)CC1CCCN(Cc2cccc3c(C(F)(F)F)c(OC4CCC(C)CC4)ccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.39
MCHR1 Q99705 1/20 0.39
S1PR5 Q9H228 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.36
POLB P06746 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
SCHEMBL15600013 1.00 ENPP2 (0.43) ENPP2L3MBTL1KMT2AMCHR1S1PR5
SCHEMBL16860073 1.00 ENPP2 (0.43) ENPP2L3MBTL1KMT2AMCHR1S1PR5
SCHEMBL16860083 0.94 ENPP2 (0.46) ENPP2L3MBTL1KMT2AMCHR1S1PR5
SCHEMBL15564847 0.94 ENPP2 (0.46) ENPP2L3MBTL1KMT2AMCHR1S1PR5
SCHEMBL15564849 0.94 ENPP2 (0.46) ENPP2L3MBTL1KMT2AMCHR1S1PR5
SCHEMBL15565128 0.92 ENPP2 (0.46) ENPP2L3MBTL1S1PR5ALDH1A1LMNA
SCHEMBL16860077 0.92 ENPP2 (0.46) ENPP2L3MBTL1S1PR5ALDH1A1LMNA
SCHEMBL15600008 0.92 ENPP2 (0.46) ENPP2L3MBTL1S1PR5ALDH1A1LMNA
SCHEMBL16860089 0.84 ENPP2 (0.49) ENPP2L3MBTL1KMT2AS1PR5ALDH1A1
SCHEMBL15565749 0.84 ENPP2 (0.49) ENPP2L3MBTL1KMT2AS1PR5ALDH1A1

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 2 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 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