SCHEMBL2516545

SCHEMBL2516545

CCCCCC(=O)COCC1C(C)CCC1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G4B P0C869 1/20 0.36
CES2 O00748 5/20 0.36
CES1 P23141 4/20 0.35
HAO1 Q9UJM8 1/20 0.35
AKR1B1 P15121 1/20 0.34
FAAH O00519 1/20 0.34
PAM P19021 2/20 0.34

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
SCHEMBL2467324 0.98 NAAA (0.41) NAAAMAPTKMT2APLA2G4BCES2
SCHEMBL2470849 0.94 NAAA (0.40) NAAAMAPTKMT2APLA2G4BCES2
SCHEMBL13740165 0.92 NAAA (0.42) NAAAMAPTKMT2APLA2G4BCES2
SCHEMBL14975569 0.89 MAPT (0.35) NAAAMAPTKMT2APLA2G4BCES2
SCHEMBL2516396 0.88 ALDH1A1 (0.30)
SCHEMBL17336931 0.82 ALDH1A1 (0.30)
SCHEMBL2471941 0.82 KDM4C (0.33)
SCHEMBL2491202 0.81 TDP1 (0.33)
SCHEMBL2491700 0.80 NAAA (0.42) NAAAMAPTKMT2APLA2G4BCES2
SCHEMBL14975309 0.80 NAAA (0.39) NAAAMAPTKMT2APLA2G4BCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782938-A1 HIGH ACTIVITY CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND METHOD OF USING THE SAME BASF Corporation (US) 2014-10-01 EP claimed
WO-2013077837-A1 HIGH ACTIVITY CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND METHOD OF USING THE SAME BASF CORPORATION (US) 2013-05-30 WO claimed
EP-2539375-A2 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF Corporation (US) 2013-01-02 EP disclosed
WO-2011106480-A2 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF CORPORATION (US) 2011-09-01 WO disclosed