SCHEMBL6649477

SCHEMBL6649477

CC[Si](CC)(CC)OCCCC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PAOX Q6QHF9 3/20 0.37
ACHE P22303 1/20 0.37
CES2 O00748 1/20 0.32
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL6649876 0.94 PAOX (0.40) ALDH1A1PAOXACHECES2LMNA
SCHEMBL6653965 0.92 PAOX (0.43) ALDH1A1PAOXACHECES2
SCHEMBL6654251 0.84 MAPT (0.35)
SCHEMBL6652592 0.81 MAPT (0.33)
SCHEMBL6654006 0.81 TDP1 (0.36) ALDH1A1TDP1
SCHEMBL6649255 0.79 MAPT (0.36) ALDH1A1CES2
SCHEMBL6648343 0.77 ALDH1A1 (0.41) ALDH1A1PAOXACHECES2LMNA
SCHEMBL5000627 0.76 TBXAS1 (0.34)
SCHEMBL6651752 0.75 TDP1 (0.35) ALDH1A1TDP1
SCHEMBL6650721 0.75 TDP1 (0.30) TDP1

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
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US claimed
EP-1095944-B1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA SA (ES) 2004-03-17 EP disclosed
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US disclosed
EP-1095944-A1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA S.A. (ES) 2001-05-02 EP disclosed