SCHEMBL28648784

SCHEMBL28648784

CC(O)C(O)S(=O)(=O)O.CCCN(CCC)CCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA14 Q9ULX7 1/20 0.32
HTR1A P08908 1/20 0.32
TP53 P04637 1/20 0.31
CA9 Q16790 1/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
DRD3 P35462 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 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
SCHEMBL28649075 0.88 TP53 (0.37) CA1CA12TP53CA9DRD2
SCHEMBL28669250 0.83 NPSR1 (0.32)
SCHEMBL380314 0.79
Sulfuric Acid SCHEMBL5874371 0.77 CA1 (0.48) CA1CA12CA2CA14HTR1A
SCHEMBL28165626 0.77
SCHEMBL28549670 0.77
Sulfuric Acid SCHEMBL2687555 0.77 CA1 (0.48) CA1CA12CA2CA14HTR1A
SCHEMBL29071583 0.72 TSHR (0.44) CA1CA12CA2CA14HTR1A
SCHEMBL26141634 0.72 MEN1 (0.35) MEN1KMT2A
SCHEMBL5932112 0.70 CA1 (0.37) CA1MEN1KMT2ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683747-B High-solid-content self-extinction aqueous polyurethane dispersion and preparation method thereof 厦门威亮光学涂层技术有限公司 2023-03-31 CN disclosed
CN-113683747-A High-solid-content self-extinction aqueous polyurethane dispersion and preparation method thereof 厦门威亮光学涂层技术有限公司 2021-11-23 CN disclosed