SCHEMBL3082168

SCHEMBL3082168

CCCCC(=CC(=Cc1ccccc1)C=C(CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 4/20 0.44
PTGES O14684 3/20 0.44
PPARG P37231 2/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RECQL P46063 1/20 0.41
APEX1 P27695 1/20 0.39
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
PTGS2 P35354 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
SCHEMBL5249714 0.94 LMNA (0.53) LMNATDP1ALOX5PTGESPPARG
SCHEMBL2042270 0.90 LMNA (0.49) LMNATDP1ALOX5PTGESPPARG
SCHEMBL9785974 0.89 LMNA (0.48) LMNATDP1ALOX5PTGESPPARG
SCHEMBL10685052 0.89 TDP1 (0.60) LMNATDP1ALOX5PTGESPPARG
SCHEMBL10783753 0.88 AKR1C3 (0.49) LMNATDP1ALOX5PTGESPPARG
SCHEMBL7854799 0.83 LMNA (0.46) LMNATDP1ALOX5PTGESPPARG
SCHEMBL8956285 0.82 LMNA (0.42) LMNATDP1ALOX5PTGESPPARG
SCHEMBL524131 0.82 ALOX5 (0.59) LMNATDP1ALOX5PTGESPPARG
SCHEMBL8702152 0.82 ALOX5 (0.59) LMNATDP1ALOX5PTGESPPARG
SCHEMBL1786246 0.82 ALOX5 (0.59) LMNATDP1ALOX5PTGESPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1850189-B1 Toner compositions and toner manufacturing process XEROX CORP (US) 2013-01-16 EP claimed
US-7781135-B2 Emulsion aggregation toner having zinc salicylic acid charge control agent XEROX CORPORATION (US) 2010-08-24 US disclosed
US-7704665-B2 Single component developer XEROX CORPORATION (US) 2010-04-27 US disclosed
US-7704662-B2 comprising emulsion aggregation toner particles comprising a styrene acrylate polymer binder resin having a weight average molecular weight of 50,000-100,000 Daltons, and average molecular weight of 10,000-30,000 Daltons, a wax selected from polypropylene and polyethylene, and at least one colorant XEROX CORPORATION (US) 2010-04-27 US disclosed
US-20090136863-A1 EMULSION AGGREGATION TONER HAVING ZINC SALICYLIC ACID CHARGE CONTROL AGENT XEROX CORPORATION (US) 2009-05-28 US disclosed
US-20090081575-A1 SINGLE COMPONENT DEVELOPER XEROX CORPORATION (US) 2009-03-26 US disclosed
US-20090081572-A1 SINGLE COMPONENT DEVELOPER XEROX CORPORATION (US) 2009-03-26 US disclosed