SCHEMBL6942885

SCHEMBL6942885

CC(C)(C)CCCCOCCCCC(C)(C)CO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7057042 0.98 HRH3 (0.39) HRH3MEN1THRBHTTKMT2A
SCHEMBL3035128 0.93 MEN1 (0.38) HRH3MEN1THRBHTTKMT2A
SCHEMBL6255271 0.91 HRH3 (0.38) HRH3MEN1THRBHTTKMT2A
SCHEMBL6435837 0.91 HRH3 (0.38) HRH3MEN1THRBHTTKMT2A
SCHEMBL6348894 0.91 MEN1 (0.37) HRH3MEN1THRBHTTKMT2A
SCHEMBL6255265 0.91 MEN1 (0.37) HRH3MEN1THRBHTTKMT2A
SCHEMBL6258659 0.91 MEN1 (0.41) HRH3MEN1THRBHTTKMT2A
SCHEMBL6259537 0.91 MEN1 (0.41) HRH3MEN1THRBHTTKMT2A
SCHEMBL6260564 0.86 TSHR (0.39) HRH3MEN1THRBHTTKMT2A
SCHEMBL5430699 0.84 MEN1 (0.38) HRH3MEN1THRBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204626-A4 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2003-05-07 EP claimed
JP-2002541129-A 2002-12-03 JP claimed
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP claimed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 WO claimed