SCHEMBL6970913

SCHEMBL6970913

CCOC(=O)C1(c2ccc(Cl)cc2)OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
ABCB11 O95342 1/20 0.45
MAPK1 P28482 1/20 0.45
APP P05067 1/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6979573 0.95 OPRM1 (0.49) OPRM1MAPTLMNAABCB11MAPK1
SCHEMBL6978140 0.92 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6971194 0.90 OPRM1 (0.45) OPRM1MAPTLMNAABCB11MAPK1
SCHEMBL6979724 0.90 OPRM1 (0.45) OPRM1LMNAOPRD1OPRK1SLC22A1
SCHEMBL7145811 0.89 APP (0.38) OPRM1MAPTLMNAABCB11MAPK1
SCHEMBL6974990 0.89 OPRM1 (0.46) OPRM1LMNAOPRD1OPRK1SLC22A1
SCHEMBL6977165 0.89 OPRM1 (0.38) OPRM1MAPTLMNAABCB11MAPK1
SCHEMBL6982866 0.88 OPRM1 (0.41) OPRM1MAPTLMNAABCB11MAPK1
SCHEMBL6978137 0.87 OPRM1 (0.43) OPRM1MAPTLMNAABCB11MAPK1
SCHEMBL6979503 0.87 OPRM1 (0.48) OPRM1MAPTMAPK1OPRD1OPRK1

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 6 patents. 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 claimed
US-6528538-B1 Reaction of 1,3-propanediol derivative with a ketone or aldehyde MERCK PATENTGESELLSCHAFT (DE) 2003-03-04 US claimed
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
US-6528538-B1 Reaction of 1,3-propanediol derivative with a ketone or aldehyde MERCK PATENTGESELLSCHAFT (DE) 2003-03-04 US disclosed
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 WO disclosed