SCHEMBL21771189

SCHEMBL21771189

CCCCN(C)CCOCCOCCOCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21771187 1.00 SLC6A4 (0.39) SLC6A4LMNAMEN1KMT2ATHRB
SCHEMBL12865461 0.91 LMNA (0.40) SLC6A4LMNAMEN1KMT2ATHRB
SCHEMBL12865465 0.91 LMNA (0.40) SLC6A4LMNAMEN1KMT2ATHRB
SCHEMBL22794309 0.88 TSHR (0.46) SLC6A4MEN1KMT2ATHRBHTT
SCHEMBL4633781 0.88 LMNA (0.37) SLC6A4LMNAMEN1KMT2AHTT
SCHEMBL24765691 0.86 MEN1 (0.45) SLC6A4MEN1KMT2ATHRBHTT
SCHEMBL18827613 0.86 DNM1 (0.44) SLC6A4TSHRS1PR2S1PR1S1PR3
SCHEMBL13961055 0.84 KDM4C (0.39) SLC6A4ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL4396255 0.83 TSHR (0.50) SLC6A4MEN1KMT2ATHRBHTT
SCHEMBL24061839 0.83 HTR1D (0.38) SLC6A4LMNAMEN1KMT2AALDH1A1

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-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed