SCHEMBL29938566

SCHEMBL29938566

CCCCCCCOCOCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 2/20 0.41
USP2 O75604 1/20 0.38
CES1 P23141 1/20 0.37
TSHR P16473 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL23567250 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL25497303 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL15842210 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL23567212 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11048788 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL23567292 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL723818 0.83 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL27915350 0.82 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL12676068 0.81 TSHR (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL6977447 0.81 HSD17B10 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057880-B Preparation method of 7-iodo-1- { [2- (trimethylsilyl) ethoxy ] methoxy } heptane-3-one 苏州富士莱医药股份有限公司 2024-12-27 CN claimed
CN-115057880-B Preparation method of 7-iodo-1- { [2- (trimethylsilyl) ethoxy ] methoxy } heptane-3-one 苏州富士莱医药股份有限公司 2024-12-27 CN disclosed
CN-115057880-A Preparation method of 7-iodine-1- { [2- (trimethylsilyl) ethoxy ] methoxy } heptane-3-ketone 苏州富士莱医药股份有限公司 2022-09-16 CN disclosed
CN-115057880-A Preparation method of 7-iodine-1- { [2- (trimethylsilyl) ethoxy ] methoxy } heptane-3-ketone 苏州富士莱医药股份有限公司 2022-09-16 CN disclosed
CN-115057880-A Preparation method of 7-iodine-1- { [2- (trimethylsilyl) ethoxy ] methoxy } heptane-3-ketone 苏州富士莱医药股份有限公司 2022-09-16 CN disclosed