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SCHEMBL11528518

SCHEMBL11528518

C=CS(=O)(=O)C(C)C(=O)OCC(COC(=O)C(C)S(=O)(=O)C=C)(COC(=O)C(C)S(=O)(=O)C=C)COC(=O)C(C)S(=O)(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ THRB P10828 1/20 0.31

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
SCHEMBL11526435 0.75 TSHR (0.35) ALDH1A1MEN1KMT2ATSHR
SCHEMBL11529693 0.69 — —
SCHEMBL7901991 0.69 TP53 (0.35) TP53MEN1KMT2ATSHR
SCHEMBL13346809 0.68 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8380103 0.67 TSHR (0.33) ALDH1A1TSHR
SCHEMBL6065421 0.65 TSHR (0.37) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL28635874 0.65 MGLL (0.32) —
SCHEMBL23130374 0.65 GRIN2D (0.49) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3135513 0.65 HTT (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3680080 0.65 HTT (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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
US-4134770-A VINYLSULFONYLPROPIONYL COMPOUNDS MITSUBISHI PAPER MILLS, LTD. (JP) 1979-01-16 — — US disclosed