SCHEMBL22137686

SCHEMBL22137686

CCCN(CCNCC)CCOC(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
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
SCHEMBL24701914 0.84 ALDH1A1 (0.33)
SCHEMBL8437150 0.80 TSHR (0.46) TSHR
SCHEMBL24941943 0.78 SIGMAR1 (0.41) HTT
SCHEMBL23977797 0.77 MEN1 (0.33) TSHR
SCHEMBL14980615 0.76 CYP2C19 (0.43) TSHR
SCHEMBL12120256 0.76 KDM4E (0.33)
SCHEMBL4748879 0.74
SCHEMBL1537292 0.73 CYP2C19 (0.47) HTTTSHR
SCHEMBL7362726 0.72 CYP2C19 (0.35) HTTTSHR
SCHEMBL14980593 0.72 CYP2C19 (0.40) TSHR

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-2020132004-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD SAINT LOUIS UNIVERSITY (US) 2020-06-25 WO disclosed