SCHEMBL15564849

SCHEMBL15564849

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.46
S1PR5 Q9H228 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LPAR1 Q92633 1/20 0.38
KMT2A Q03164 4/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL15564847 1.00 ENPP2 (0.46) ENPP2S1PR5L3MBTL1LPAR1KMT2A
SCHEMBL16860083 1.00 ENPP2 (0.46) ENPP2S1PR5L3MBTL1LPAR1KMT2A
SCHEMBL15600013 0.94 ENPP2 (0.43) ENPP2S1PR5L3MBTL1KMT2AMCHR1
SCHEMBL16860073 0.94 ENPP2 (0.43) ENPP2S1PR5L3MBTL1KMT2AMCHR1
SCHEMBL15565129 0.94 ENPP2 (0.43) ENPP2S1PR5L3MBTL1KMT2AMCHR1
SCHEMBL15565749 0.91 ENPP2 (0.49) ENPP2S1PR5L3MBTL1LPAR1KMT2A
SCHEMBL15565216 0.91 ENPP2 (0.49) ENPP2S1PR5L3MBTL1LPAR1KMT2A
SCHEMBL16860089 0.91 ENPP2 (0.49) ENPP2S1PR5L3MBTL1LPAR1KMT2A
SCHEMBL16860077 0.85 ENPP2 (0.46) ENPP2S1PR5L3MBTL1ALDH1A1LMNA
SCHEMBL15565128 0.85 ENPP2 (0.46) ENPP2S1PR5L3MBTL1ALDH1A1LMNA

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