SCHEMBL11526435

SCHEMBL11526435

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL11528518 0.75 ALDH1A1 (0.36) TSHRMEN1KMT2AALDH1A1
SCHEMBL11526821 0.71
SCHEMBL2402152 0.66 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL7901991 0.66 TP53 (0.35) TSHRMEN1KMT2ALMNA
SCHEMBL8380103 0.65 TSHR (0.33) TSHRALDH1A1
SCHEMBL29384224 0.65 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL30531665 0.65 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL30531670 0.65 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL11339485 0.64 TDP1 (0.37) TSHRALDH1A1LMNA
SCHEMBL5029751 0.63 ALDH1A1 (0.36) TSHRALDH1A1LMNA

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