SCHEMBL23100650

SCHEMBL23100650

C#CCOCCOCCOCCOCCN1CCN(CCOCCC)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR2A P28223 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR7 P34969 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.31
TSHR P16473 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
SCHEMBL22788623 0.93 KDM4E (0.36) KDM4EALDH1A1HTTHTR2ATDP1
SCHEMBL24533526 0.83 KDM4E (0.40) KDM4EALDH1A1HTTMAPTMEN1
SCHEMBL10138522 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL19228952 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL19228949 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL10101994 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL40194 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL22199369 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL10089720 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL19228957 0.82 TSHR (0.40) ALDH1A1HTTMAPTMEN1KMT2A

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