SCHEMBL31571908

SCHEMBL31571908

C=C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HPGD P15428 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SMYD2 Q9NRG4 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL2184635 0.84 ELANE (0.41) ALDH1A1HPGD
SCHEMBL476117 0.81 CES2 (0.38) ALDH1A1HPGDESR1SMYD2
SCHEMBL23521415 0.79 PAX8 (0.36) PAX8ALDH1A1HPGDESR1ESR2
SCHEMBL476116 0.79 TDP1 (0.34) ALDH1A1ALOX15
SCHEMBL29732794 0.79 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL29732754 0.79 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL7599259 0.78 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL8940570 0.77 SMYD2 (0.36) PAX8ALOX15SMYD2MAPK1
SCHEMBL5313286 0.77 KCNN4 (0.31)
SCHEMBL4189734 0.76 ALDH1A1 (0.34) ALDH1A1ALOX15SMYD2

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-119930488-A Alkyl trifluoromethyl thioether compound and synthesis method thereof 常州大学 2025-05-06 CN disclosed