SCHEMBL29289461

SCHEMBL29289461

C[Si]1(O)CCCC(c2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 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
SCHEMBL211430 0.82 TSHR (0.42) TSHRSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL28138890 0.81 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL2233573 0.78 TSHR (0.38) TSHRSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL28894979 0.78 TSHR (0.38) TSHRSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1694289 0.76 TSHR (0.36) TSHRSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL28141206 0.75 TSHR (0.38) TSHRSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL27586839 0.74 TSHR (0.35) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL913096 0.74 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL9750709 0.72 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL28596049 0.72 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3

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
CN-108697606-B Personal care compositions and methods of using such compositions 罗地亚经营管理公司 2021-10-26 CN disclosed