SCHEMBL6649697

SCHEMBL6649697

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 6/20 0.46
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.37
CES2 O00748 1/20 0.36
DGKA P23743 1/20 0.33
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32
TSHR P16473 3/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 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
SCHEMBL6651211 0.98 PAOX (0.43) PAOXALDH1A1ACHECES2DGKA
SCHEMBL6648343 0.91 ALDH1A1 (0.41) PAOXALDH1A1ACHECES2LMNA
SCHEMBL8818734 0.83 ALDH1A1 (0.59) ALDH1A1LMNATSHR
SCHEMBL21551929 0.83 ALDH1A1 (0.59) ALDH1A1LMNATSHR
SCHEMBL8432837 0.83 ALDH1A1 (0.59) ALDH1A1LMNATSHR
SCHEMBL10018323 0.80 PAOX (0.41) PAOXALDH1A1ACHECES2TSHR
SCHEMBL9955793 0.80 SOAT1 (0.36) ALDH1A1DGKATSHRCYP3A4
SCHEMBL16294270 0.79 TSHR (0.54) ALDH1A1DGKALMNATSHR
SCHEMBL18038087 0.79 TSHR (0.54) ALDH1A1DGKALMNATSHR
SCHEMBL16294179 0.79 TSHR (0.54) ALDH1A1DGKALMNATSHR

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