SCHEMBL6975131

SCHEMBL6975131

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
APP P05067 3/20 0.40
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
HPGD P15428 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HKDC1 Q2TB90 2/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL7816365 0.91 MAPT (0.40) MAPTAPPALDH1A1TDP1KMT2A
SCHEMBL6979007 0.90 OPRM1 (0.41) MAPTALDH1A1TDP1HPGDCTDSP1
SCHEMBL6978137 0.87 OPRM1 (0.43) MAPTAPPALDH1A1HPGDKMT2A
SCHEMBL6981106 0.87 APP (0.43) MAPTAPPALDH1A1KMT2AHTT
SCHEMBL6971971 0.84 NPC1 (0.44) MAPTALDH1A1KMT2ANPC1MAPK1
SCHEMBL7145811 0.81 APP (0.38) MAPTAPPALDH1A1CTDSP1KMT2A
SCHEMBL6968252 0.78 MEN1 (0.42) MAPTALDH1A1TDP1HPGDKMT2A
SCHEMBL6978140 0.78 OPRM1 (0.49) CTDSP1SMN1; SMN2L3MBTL1GAA
SCHEMBL6983335 0.77 HSD17B10 (0.38) MAPTALDH1A1HPGDCTDSP1KMT2A
SCHEMBL6970254 0.76 OPRM1 (0.41) MAPTAPPALDH1A1KMT2AHTT

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