SCHEMBL6982305

SCHEMBL6982305

COC(=O)C1(C)OCC2(CO1)c1ccccc1-c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
ITGA4 P13612 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
IDO1 P14902 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
PDK2 Q15119 4/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6982212 0.83 THRB (0.46) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL6979914 0.81 MEN1 (0.51) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL6968252 0.81 MEN1 (0.42) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL6973943 0.75 PDK2 (0.44) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL6981621 0.74 APEX1 (0.42) ALDH1A1MAPTITGA4KMT2AHTT
SCHEMBL7816054 0.73 ALDH1A1 (0.37) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL4217613 0.73 ALDH1A1 (0.49) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL6975654 0.72 MAPT (0.40) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL14026066 0.71 ALDH1A1 (0.50) ALDH1A1MAPTITGA4MEN1KMT2A
SCHEMBL30204529 0.71 ALDH1A1 (0.50) ALDH1A1MAPTITGA4MEN1KMT2A

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