SCHEMBL28485253

SCHEMBL28485253

CCCCCCCCCCCCCCCCCCN(C)C(CCC)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
DNM1 Q05193 5/20 0.39
GGPS1 O95749 3/20 0.38
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACE2 Q9BYF1 1/20 0.33
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL28272642 0.87 DNM1 (0.40) TP53DNM1GGPS1S1PR2S1PR1
SCHEMBL11710261 0.76 TP53 (0.47) TP53CA1CA2ACE2
SCHEMBL776175 0.76 TP53 (0.47) TP53CA1CA2ACE2
SCHEMBL9407455 0.76 TP53 (0.42) TP53DNM1GGPS1S1PR2S1PR1
SCHEMBL1573362 0.74 HDAC1 (0.37) TP53CA1CA2CHRM3HTR2A
SCHEMBL1403834 0.72 DNM1 (0.48) DNM1GGPS1S1PR2S1PR1S1PR3
SCHEMBL30520354 0.72
SCHEMBL9436912 0.71 TP53 (0.39) TP53DNM1GGPS1S1PR2S1PR1
Sulfuric Acid SCHEMBL23248613 0.70 DNM1 (0.71) TP53DNM1GGPS1S1PR2S1PR1
Sulfuric Acid SCHEMBL9117820 0.70 DNM1 (0.71) TP53DNM1GGPS1S1PR2S1PR1

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-109422817-B Micron-sized crosslinked starch microspheres and preparation method and application thereof 中国石油化工股份有限公司 2020-11-06 CN disclosed