SCHEMBL10864802

SCHEMBL10864802

CCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.39
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
NR4A3 Q92570 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL25192074 0.74 TSHR (0.37) CES2CES1MAPTSMN1; SMN2L3MBTL1
SCHEMBL1130961 0.73 CES2 (0.48) CES2CES1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28545158 0.72 CES1 (0.41) CES2CES1MAPTSMN1; SMN2L3MBTL1
SCHEMBL17163820 0.72 CES1 (0.41) CES2CES1MAPTSMN1; SMN2L3MBTL1
Catechol SCHEMBL9067664 0.69 AKR1B1 (0.56) CES2CES1MAPTSMN1; SMN2L3MBTL1
Catechol SCHEMBL8435548 0.69 AKR1B1 (0.56) CES2CES1MAPTSMN1; SMN2L3MBTL1
SCHEMBL205674 0.68 ELANE (0.43) CES2CES1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6054098 0.68 ELANE (0.43) CES2CES1MAPTSMN1; SMN2L3MBTL1
Bicarbonate SCHEMBL14635340 0.67 GABRA1 (0.55) CES2CES1MAPTSMN1; SMN2L3MBTL1
Bicarbonate SCHEMBL29051241 0.67 GABRA1 (0.55) CES2CES1MAPTSMN1; SMN2L3MBTL1

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-11773208-B2 Cationically curable composition and cured product production method DEXERIALS CORPORATION (JP) 2023-10-03 US disclosed
US-20210214489-A1 CATIONICALLY CURABLE COMPOSITION AND CURED PRODUCT PRODUCTION METHOD DEXERIALS CORPORATION (JP) 2021-07-15 US disclosed
CN-112292414-A Cation-curable composition and method for producing cured product 迪睿合株式会社 2021-01-29 CN disclosed
EP-0193643-A2 Curable resin composition KABUSHIKI KAISHA TOSHIBA (JP) 1986-09-10 EP disclosed