SCHEMBL6983251

SCHEMBL6983251

CCOC(=O)CC1(c2ccc(Cl)cc2)OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
APP P05067 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 2/20 0.39
MAPT P10636 2/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL6982434 0.84 ALDH1A1 (0.44) L3MBTL1MAPTALDH1A1
SCHEMBL9337866 0.82 GAA (0.59) GAAOPRM1LMNAALDH1A1
SCHEMBL6970913 0.81 OPRM1 (0.45) GAAAPPL3MBTL1OPRM1MAPT
SCHEMBL7815962 0.80 OPRM1 (0.35) GAAAPPL3MBTL1OPRM1MAPT
SCHEMBL6983068 0.80 PPID (0.46) GAAAPPL3MBTL1MAPTALDH1A1
SCHEMBL6980629 0.80 APP (0.41) GAAAPPL3MBTL1OPRM1MAPT
SCHEMBL6979573 0.76 OPRM1 (0.49) GAAOPRM1MAPTABCB11LMNA
SCHEMBL6983604 0.73 OPRM1 (0.41) GAAOPRM1MAPTABCB11LMNA
SCHEMBL9480815 0.73 GAA (0.50) GAAL3MBTL1OPRM1
SCHEMBL7145811 0.73 APP (0.38) GAAAPPL3MBTL1OPRM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098893-B1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed