SCHEMBL6976939

SCHEMBL6976939

CCOC(=O)CC1(C)OCC2(CO1)c1ccccc1-c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
PDK2 Q15119 3/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
PPP1CA P62136 1/20 0.37
RIN1 Q13671 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL7815888 0.93 GAA (0.42) GAAALDH1A1LMNAPDK2MAPT
SCHEMBL6981621 0.83 APEX1 (0.42) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL4902934 0.77 GAA (0.43) GAAALDH1A1LMNAL3MBTL1CTDSP1
SCHEMBL6978137 0.74 OPRM1 (0.43) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL6979007 0.73 OPRM1 (0.41) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL24981178 0.73 ALDH1A1 (0.44) GAAALDH1A1LMNAPDK2MAPT
SCHEMBL17051306 0.73 APEX1 (0.47) GAAALDH1A1LMNAPDK2MAPT
SCHEMBL6975621 0.72 APP (0.38) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL11110321 0.72 ALDH1A1 (0.47) GAAALDH1A1LMNAPDK2MAPT
SCHEMBL180341 0.71 CTDSP1 (0.47) GAAALDH1A1LMNAHPGDKDM4E

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