SCHEMBL21173015

SCHEMBL21173015

Cc1ccc(OCC(=O)CCCCC(=O)COc2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
HPGD P15428 3/20 0.59
L3MBTL1 Q9Y468 4/20 0.55
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
WDR5 P61964 1/20 0.52
HDAC1 Q13547 1/20 0.51
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PLA2G4B P0C869 2/20 0.47

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
SCHEMBL13472199 0.93 MAPT (0.53) MAPTHPGDL3MBTL1LMNAKDM4E
SCHEMBL13472205 0.89 MAPT (0.49) MAPTHPGDL3MBTL1LMNAKDM4E
SCHEMBL11425674 0.88 MAPT (0.61) MAPTHPGDL3MBTL1LMNAKDM4E
SCHEMBL20175326 0.85 MAOB (0.48) MAPTHPGDL3MBTL1LMNAKDM4E
SCHEMBL13472203 0.83 RAB9A (0.53) HPGDLMNAALDH1A1KMT2A
SCHEMBL25063855 0.80 L3MBTL1 (0.59) HPGDL3MBTL1GAANPC1MEN1
SCHEMBL19228828 0.80 BCL9 (0.58) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL13345910 0.79 WDR5 (0.55) MAPTHPGDL3MBTL1LMNAKDM4E
SCHEMBL21093512 0.78 L3MBTL1 (0.61) MAPTHPGDL3MBTL1ALDH1A1NPC1
SCHEMBL503652 0.78 L3MBTL1 (0.66) MAPTHPGDL3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218437-A1 METHOD OF USING A TONER AS A PRINTABLE ADHESIVE XEROX CORPORATION 2019-07-18 US disclosed