SCHEMBL4532066

SCHEMBL4532066

C=CCOC(CCC)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL1668699 0.85 MEN1 (0.33) TSHR
SCHEMBL600804 0.83
SCHEMBL15345882 0.78 TP53 (0.38) TSHRHDAC1HDAC2TDP1CHRM1
SCHEMBL17629263 0.77 SLC22A6 (0.32)
SCHEMBL15345889 0.76 HDAC1 (0.37) TSHRHDAC1HDAC2TDP1CHRM1
SCHEMBL27943659 0.76 CA1 (0.41)
SCHEMBL11327966 0.74 TSHR (0.49) TSHRHDAC1HDAC2HDAC3HDAC4
SCHEMBL37544 0.73 HDAC1 (0.39) TSHRHDAC1HDAC2TDP1CHRM1
SCHEMBL29050986 0.73 TP53 (0.38) TSHRHDAC1HDAC2TDP1CHRM1
SCHEMBL5669572 0.73 TDP1 (0.32) TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109072134-B Formulations, their preparation and use and suitable components 巴斯夫欧洲公司 2021-05-07 CN disclosed
US-7566751-B2 Sulfonate functional polyvinyl acetals KURARAY EUROPE GMBH (DE) 2009-07-28 US disclosed
US-20080076871-A1 Sulfonate Functional Polyvinyl Acetals WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1763543-B1 SULFONATE FUNCTIONAL POLYVINYL ACETALS WACKER POLYMER SYSTEMS GMBH (DE) 2007-10-31 EP disclosed
EP-1763543-A1 SULFONATE FUNCTIONAL POLYVINYL ACETALS Wacker Polymer Systems GmbH & Co. KG (DE) 2007-03-21 EP disclosed
WO-2006002832-A1 SULFONATE FUNCTIONAL POLYVINYL ACETALS WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2006-01-12 WO disclosed