SCHEMBL21344909

SCHEMBL21344909

CC(C)(C)CCCOCCCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GBA2 Q9HCG7 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
SCHEMBL14898427 0.93 CYP4F2 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8955770 0.91 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL13804946 0.91 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL17526421 0.88 TSHR (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14190949 0.86 TSHR (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19668069 0.84 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL16419397 0.84 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29926359 0.83 HRH3 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4451768 0.83 HRH3 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27805443 0.83 HRH3 (0.47) MEN1KMT2ATHRBHTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763815-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA Daiichi Sankyo Company, Limited (JP) 2021-01-13 EP disclosed
WO-2019172286-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA 第一三共株式会社 2019-09-12 WO disclosed