SCHEMBL28853113

SCHEMBL28853113

Cc1cc(C)cc([Si](C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
ACHE P22303 2/20 0.35
TPMT P51580 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
Fluoride SCHEMBL27902331 0.97 ALDH1A1 (0.40) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL16820305 0.76 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL26115 0.73
SCHEMBL341533 0.73 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL23202758 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL23202757 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL432597 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL25401798 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL843588 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL2380926 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073511-A Green synthesis method for oxidizing silane into silanol 台州学院 2022-09-20 CN disclosed
CN-107459530-A A kind of 1,3 isoquinolin derovatives of novel silicon base substitution and preparation method thereof 丽水学院 2017-12-12 CN disclosed