SCHEMBL8955770

SCHEMBL8955770

CC(C)(C)CCOCCCCCCCCCO

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 2/20 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
SCHEMBL21344909 0.91 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL12561571 0.91 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14898427 0.84 CYP4F2 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25939787 0.83 HRH3 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL13804946 0.81 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7964566 0.80 TSHR (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14586412 0.80 HRH3 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25884127 0.80 HRH3 (0.46) TSHRHRH3
SCHEMBL6047745 0.80 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8936938 0.80 MEN1 (0.55) 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
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed