SCHEMBL6898200

SCHEMBL6898200

CC(C)(C)CCOCCCOCCC(C)(C)CO

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6259562 0.93 TSHR (0.37) HRH3TSHRMEN1THRBHTT
SCHEMBL6255271 0.87 HRH3 (0.38) HRH3TSHRMEN1THRBHTT
SCHEMBL7057042 0.85 HRH3 (0.39) HRH3TSHRMEN1THRBHTT
SCHEMBL6254561 0.84 TSHR (0.37) HRH3TSHRMEN1THRBHTT
SCHEMBL6258539 0.84 MEN1 (0.38) TSHRMEN1THRBHTTKMT2A
SCHEMBL25884127 0.83 HRH3 (0.46) HRH3TSHR
SCHEMBL6942885 0.83 HRH3 (0.40) HRH3TSHRMEN1THRBHTT
SCHEMBL6435837 0.83 HRH3 (0.38) HRH3TSHRMEN1THRBHTT
SCHEMBL6255265 0.82 MEN1 (0.37) HRH3TSHRMEN1THRBHTT
SCHEMBL6260564 0.81 TSHR (0.39) HRH3TSHRMEN1THRBHTT

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 3 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