SCHEMBL20175326

SCHEMBL20175326

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
PARP10 Q53GL7 1/20 0.47
MAPT P10636 5/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PLA2G4B P0C869 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL20175325 0.89 PLA2G4B (0.56) MAPTGAAALDH1A1KMT2AMAPK1
SCHEMBL21173015 0.85 MAPT (0.59) MAPTHPGDGAAALDH1A1KMT2A
SCHEMBL18381103 0.85 ALDH1A1 (0.56) MAOBMAPTGAAALDH1A1KMT2A
SCHEMBL18381162 0.83 ALDH1A1 (0.55) MAOBMAPTGAAALDH1A1KMT2A
SCHEMBL18381087 0.82 ALDH1A1 (0.56) MAOBMAPTGAAALDH1A1KMT2A
SCHEMBL8205868 0.80 LMNA (0.55) GAAKMT2AMEN1LMNAL3MBTL1
SCHEMBL13472199 0.79 MAPT (0.53) MAPTHPGDGAAALDH1A1KMT2A
SCHEMBL5709846 0.79 ALDH1A1 (0.51) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL2533623 0.78 MAPT (0.63) MAOBMAPTGAAALDH1A1KMT2A
SCHEMBL15987607 0.78 DGKA (0.53) MAPTGAAALDH1A1KMT2ALMNA

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
US-20180143548-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2018-05-24 US disclosed
US-20180143548-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2018-05-24 US disclosed