SCHEMBL28116543

SCHEMBL28116543

C=Cc1ccc(-c2ccccc2)cc1.CO[SiH](OC)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
PTGS2 P35354 1/20 0.36
HDAC2 Q92769 2/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 1/20 0.36
MGLL Q99685 1/20 0.36
TRPA1 O75762 2/20 0.34
ATM Q13315 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.33
HDAC8 Q9BY41 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
Styrene SCHEMBL10612925 0.88 ALDH1A1 (0.64) ALDH1A1TSHRTP53TRPA1CYP1A2
Styrene SCHEMBL11234176 0.86 ALDH1A1 (0.61) ALDH1A1TSHRTP53TRPA1CYP1A2
SCHEMBL15056 0.83 ALDH1A1 (0.68) ALDH1A1TSHRPTGS2HDAC2TP53
SCHEMBL2997715 0.83 ALDH1A1 (0.68) ALDH1A1TSHRPTGS2HDAC2TP53
SCHEMBL8758080 0.83 ALDH1A1 (0.68) ALDH1A1TSHRPTGS2HDAC2TP53
SCHEMBL447854 0.83 ALDH1A1 (0.68) ALDH1A1TSHRPTGS2HDAC2TP53
Methylamine SCHEMBL28207862 0.81 ALDH1A1 (0.59) ALDH1A1TSHRPTGS2HDAC2TP53
Fluoride SCHEMBL9324614 0.81 ALDH1A1 (0.65) ALDH1A1TSHRPTGS2HDAC2TP53
Biphenyl SCHEMBL1048244 0.81 ALDH1A1 (0.53) ALDH1A1TSHRATMCYP1A2CYP3A4
Tannin Pyrogallol SCHEMBL28814295 0.79 ALDH1A1 (0.78) ALDH1A1TSHRPTGS2HDAC2TP53

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-106281362-A Aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal cell, the manufacture method of liquid crystal orientation film and silsesquioxane JSR株式会社 2017-01-04 CN disclosed