SCHEMBL6979007

SCHEMBL6979007

CCOC(=O)C1(c2ccc(C)cc2)OCC2(CO1)c1ccccc1-c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
KIF11 P52732 1/20 0.38
GLA P06280 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
KCNH2 Q12809 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GRM1 Q13255 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6978137 0.91 OPRM1 (0.43) OPRM1MEN1KMT2ALMNAALDH1A1
SCHEMBL6975131 0.90 MAPT (0.41) CTDSP1MEN1KMT2ALMNATDP1
SCHEMBL6979724 0.86 OPRM1 (0.45) OPRM1GLACTDSP1MEN1KMT2A
SCHEMBL7145811 0.84 APP (0.38) OPRM1GLACTDSP1MEN1KMT2A
SCHEMBL7816365 0.81 MAPT (0.40) OPRM1MEN1KMT2ALMNATDP1
SCHEMBL6970254 0.81 OPRM1 (0.41) OPRM1KIF11MEN1KMT2ALMNA
SCHEMBL6978140 0.80 OPRM1 (0.49) OPRM1GLACTDSP1OPRD1OPRK1
SCHEMBL6983335 0.80 HSD17B10 (0.38) GLACTDSP1KMT2ALMNAALDH1A1
SCHEMBL6975804 0.79 OPRM1 (0.41) OPRM1MEN1KMT2ALMNAALDH1A1
SCHEMBL6968252 0.78 MEN1 (0.42) MEN1KMT2ALMNATDP1ALDH1A1

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