SCHEMBL5084056

SCHEMBL5084056

COc1ccc(NCC(C)c2ccccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 6/20 0.48
GAA P10253 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.40
KEAP1 Q14145 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL15325823 0.76 ALDH1A1 (0.63) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL12470818 0.76 MAPT (0.45) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL16671107 0.75 MAPT (0.63) MAPTALDH1A1GAAL3MBTL1MEN1
Ammonia Solution, Strong SCHEMBL6698890 0.73 MAPT (0.61) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL3011500 0.72 MAPT (0.59) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL28367079 0.72 MAPT (0.61) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL11171070 0.71 MAPT (0.53) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL11182249 0.70 MAPT (0.57) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL18235938 0.70 GAA (0.67) MAPTALDH1A1GAAL3MBTL1MEN1
SCHEMBL11173698 0.69 ALDH1A1 (0.55) MAPTALDH1A1GAAL3MBTL1MEN1

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-1937407-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION Ludwig-Maximilians-Universität München (DE) 2008-07-02 EP disclosed
WO-2007026014-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-03-08 WO disclosed