SCHEMBL3149050

SCHEMBL3149050

CC[Si](OCc1ccccc1)(O[SiH2]c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 3/20 0.31
AGXT P21549 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
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
SCHEMBL9720334 0.72
SCHEMBL28235872 0.70 TSHR (0.36) TSHRIDO1ALDH1A1AGXTTP53
SCHEMBL18094241 0.69
SCHEMBL11687109 0.67 IDO1 (0.42) TSHRIDO1ALDH1A1AGXTMAPK1
SCHEMBL18297917 0.67 TSHR (0.48) TSHRIDO1ALDH1A1AGXTTP53
SCHEMBL115876 0.67 LTA4H (0.34) TSHRALDH1A1TP53MAPTL3MBTL1
SCHEMBL10568248 0.67 TSHR (0.48) TSHRIDO1ALDH1A1AGXTTP53
SCHEMBL18297912 0.67 TSHR (0.48) TSHRIDO1ALDH1A1AGXTTP53
SCHEMBL6766072 0.66 KCNH2 (0.32) TP53
SCHEMBL18297913 0.65 TSHR (0.46) TSHRIDO1ALDH1A1AGXTTP53

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-1819776-B1 AESTHETIC, STABLE CHROMATIC EMULSIONS AVON PROD INC (US) 2010-03-03 EP claimed
CN-116634990-A Compositions comprising one or more (bio) -alkanediols with active ingredients 西姆莱斯股份公司 2023-08-22 CN disclosed
CN-116546961-A Composition for product protection comprising (bio) -alkanediol and antimicrobial agent 西姆莱斯股份公司 2023-08-04 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed