SCHEMBL17613692

SCHEMBL17613692

CCN(CC)CCC(=O)SCOCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP2D6 P10635 3/20 0.36
MAOA P21397 1/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PAOX Q6QHF9 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL17613688 0.92 KDM4E (0.37) TSHRCYP2D6MAOAHTR3AHRH3
SCHEMBL17613606 0.85 TSHR (0.37) TSHRCYP2D6MAOAHTR3AHRH3
SCHEMBL17613686 0.83 DNM1 (0.34) TSHRPAOXSMN1; SMN2KDM4EALDH1A1
SCHEMBL17613731 0.79 THRA (0.31) SMN1; SMN2KDM4ETHRBCHRM2CHRM1
SCHEMBL17613749 0.77 CYP2D6 (0.36) TSHRCYP2D6MAOAHTR3AHRH3
SCHEMBL17613698 0.76 TSHR (0.43) TSHRSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12022625 0.76 KDM4E (0.31) KDM4E
SCHEMBL17613607 0.75 CYP2D6 (0.35) TSHRCYP2D6MAOAHTR3AHRH3
SCHEMBL12022645 0.75
SCHEMBL17613689 0.75 KDM4E (0.35) PAOXSMN1; SMN2KDM4ETHRBMAPT

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
EP-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP disclosed