SCHEMBL17613745

SCHEMBL17613745

CN(C)CCC(=O)SCCOCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DNM1 Q05193 1/20 0.33
THRB P10828 6/20 0.33
THRA P10827 4/20 0.33
MAPT P10636 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PAOX Q6QHF9 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
SCHEMBL17613741 0.92 RAB9A (0.35) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL17613686 0.84 DNM1 (0.34) TSHRMAPK1MEN1KMT2ADNM1
SCHEMBL17613606 0.83 TSHR (0.37) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL17613723 0.82 TSHR (0.32) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL17613594 0.79 HRH4 (0.34) RAB9ADNM1THRBTHRACHRM2
SCHEMBL17613756 0.78 KDM4E (0.32) TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL17613666 0.77 TSHR (0.39) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL17613689 0.76 KDM4E (0.35) DNM1THRBTHRAMAPTCHRM2
SCHEMBL12023038 0.76 TSHR (0.46) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL12022634 0.75 RAB9A (0.30) RAB9A

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