SCHEMBL3876513

SCHEMBL3876513

CC(O)C(NCCN1CCOCC1)OCCC[Si](C)(C)CC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
TSHR P16473 1/20 0.34
CD274 Q9NZQ7 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3878239 0.79
SCHEMBL3887232 0.77
SCHEMBL1244276 0.74 TDP1 (0.38) TDP1ALDH1A1HPGDDUSP3TSHR
SCHEMBL3879051 0.71
SCHEMBL1245084 0.69 USP2 (0.46) ALDH1A1TSHRPKMSMN1; SMN2
SCHEMBL28908259 0.66 ALDH1A1 (0.46) ALDH1A1HPGDDUSP3TSHRHRH3
SCHEMBL25934899 0.66 CA12 (0.45) TDP1ALDH1A1HPGDDUSP3TSHR
SCHEMBL682249 0.65 CA12 (0.46) TDP1ALDH1A1HPGDDUSP3TSHR
SCHEMBL3879205 0.64
SCHEMBL20328714 0.64 PAOX (0.44) TDP1ALDH1A1HPGDDUSP3TSHR

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-2124544-A1 HYDROLYSIS RESISTANT ORGANOMODIFIED SILYLATED IONIC SURFACTANTS Momentive Performance Materials Inc. (US) 2009-12-02 EP disclosed
EP-2124545-A1 HYDROLYSIS RESISTANT ORGANOMODIFIED SILYLATED IONIC SURFACTANTS Momentive Performance Materials Inc. (US) 2009-12-02 EP disclosed
WO-2008073396-A1 HYDROLYSIS RESISTANT ORGANOMODIFIED SILYLATED IONIC SURFACTANTS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-06-19 WO disclosed
WO-2008073397-A1 HYDROLYSIS RESISTANT ORGANOMODIFIED SILYLATED IONIC SURFACTANTS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-06-19 WO disclosed