SCHEMBL17613741

SCHEMBL17613741

CN(C)CCCC(=O)SCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PAOX Q6QHF9 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
DNM1 Q05193 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 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
SCHEMBL17613745 0.92 RAB9A (0.36) RAB9ATSHRKDM4ESMN1; SMN2HRH4
SCHEMBL17613756 0.83 KDM4E (0.32) TSHRKDM4ESMN1; SMN2MAPK1
SCHEMBL17613606 0.79 TSHR (0.37) TSHRKDM4ESMN1; SMN2ALDH1A1PAOX
SCHEMBL17613723 0.78 TSHR (0.32) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL12022467 0.76
SCHEMBL17613686 0.76 DNM1 (0.34) TSHRKDM4ESMN1; SMN2ALDH1A1PAOX
SCHEMBL17613666 0.75 TSHR (0.39) TSHRKDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL12023038 0.74 TSHR (0.46) TSHRKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7777520 0.73 TSHR (0.54) TSHRKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL23015988 0.72 MEN1 (0.46) RAB9ATSHRKDM4ECCNB2CDK1

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