SCHEMBL6435837

SCHEMBL6435837

CC(C)(C)CCCOCCOCCCC(C)(C)CO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL6255271 0.96 HRH3 (0.38) HRH3MEN1KMT2ATHRBHTT
SCHEMBL5430699 0.93 MEN1 (0.38) HRH3MEN1KMT2ATHRBHTT
SCHEMBL6942885 0.91 HRH3 (0.40) HRH3MEN1KMT2ATHRBHTT
SCHEMBL6260564 0.91 TSHR (0.39) HRH3MEN1KMT2ATHRBHTT
SCHEMBL7057042 0.89 HRH3 (0.39) HRH3MEN1KMT2ATHRBHTT
SCHEMBL6254561 0.89 TSHR (0.37) HRH3MEN1KMT2ATHRBHTT
SCHEMBL6348894 0.86 MEN1 (0.37) HRH3MEN1KMT2ATHRBHTT
SCHEMBL3035128 0.84 MEN1 (0.38) HRH3MEN1KMT2ATHRBHTT
SCHEMBL25960823 0.83 HRH3 (0.46) HRH3MEN1KMT2ATHRBHTT
SCHEMBL6898200 0.83 HRH3 (0.38) HRH3MEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004529069-A 2004-09-24 JP claimed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP claimed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed