SCHEMBL24513629

SCHEMBL24513629

CC(C)(C)[Si](C)(C)Oc1ccc(OCCCCCCBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PREP P48147 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PRMT1 Q99873 3/20 0.39
F2 P00734 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
PLAU P00749 1/20 0.39
PRMT5 O14744 1/20 0.39
NR5A1 Q13285 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
TMPRSS2 O15393 1/20 0.39
PTP4A3 O75365 1/20 0.39
SLC22A3 O75751 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
S100B P04271 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL24513630 0.87 KDM4E (0.53) PREPL3MBTL1DRD3KDM4EALDH1A1
SCHEMBL30720430 0.80 PRMT1 (0.54) GAAL3MBTL1PRMT1F2ST14
SCHEMBL29864772 0.80 PRMT1 (0.54) GAAL3MBTL1PRMT1F2ST14
SCHEMBL30209074 0.80 PRMT1 (0.54) GAAL3MBTL1PRMT1F2ST14
SCHEMBL14095592 0.80 PRMT1 (0.54) GAAL3MBTL1PRMT1F2ST14
SCHEMBL21114169 0.78 LSS (0.52) GAA
SCHEMBL21114054 0.78 ALDH2 (0.34) PREPMAOACA12CA1CA9
SCHEMBL21122129 0.78 LSS (0.41) GAAMAOA
SCHEMBL4521924 0.78 PREP (0.42) PREPALDH1A1CA12CA1CA9
SCHEMBL6763899 0.78 PREP (0.53) PREPKDM4EALDH1A1CA12CA1

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
WO-2022122780-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2022-06-16 WO disclosed