SCHEMBL23100560

SCHEMBL23100560

CC(C)CCOCCOCCOCCN1CCN(CCOCCOCCOCCOCC(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.35
HTR7 P34969 3/20 0.35
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 2/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 2/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR6 P50406 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
SCHEMBL26974931 0.98 KDM4E (0.34) KDM4EALDH1A1HTTHTR7TDP1
SCHEMBL20850751 0.87 KDM4E (0.37) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL22963141 0.87 KDM4E (0.37) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL26501022 0.85 PIK3CD (0.39) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL24060966 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HTTTDP1KMT2A
SCHEMBL25075206 0.84 MAOB (0.38) KDM4EALDH1A1HTTHTR7HTR2A
SCHEMBL23205212 0.83 HTT (0.35) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL20328741 0.82 ALDH1A1 (0.42) KDM4EALDH1A1TDP1KMT2A
SCHEMBL26939510 0.82 HTT (0.43) KDM4EALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL21401523 0.82 ALDH1A1 (0.39) ALDH1A1TDP1

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
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed