SCHEMBL11510328

SCHEMBL11510328

C=C(C)C(=O)OCC[Si](OC)(OC)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.33
ACHE P22303 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11511750 0.97 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL25812321 0.93 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2239148 0.92 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL6928063 0.90 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL192216 0.88 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28333610 0.87 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27709408 0.87 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27521354 0.87 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10770561 0.86 TSHR (0.70) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7639156 0.86 THRB (0.51) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4133938-A ACRYLOYLOXYALKYLALKOXYSILANE-ACRYLATE REACTION PRODUCT, MASONRY SWS SILICONES CORPORATION (US) 1979-01-09 US disclosed