SCHEMBL6569246

SCHEMBL6569246

CC(C)(C)c1ccc2c(c1)OC(O)(CCl)CO2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
TRPV1 Q8NER1 4/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.31
PON1 P27169 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6570521 0.94 ALDH1A1 (0.37) ALDH1A1POLBHTTLMNAHSP90AA1
SCHEMBL6567367 0.81 KDM4E (0.40) ALDH1A1HTTTDP1SMN1; SMN2
SCHEMBL28614086 0.81 KDM4E (0.40) ALDH1A1HTTTDP1SMN1; SMN2
SCHEMBL6567593 0.79 PARP1 (0.39) MAPTNPSR1
SCHEMBL6569100 0.77 MEN1 (0.38) ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL12412423 0.75 CYP19A1 (0.35) ALDH1A1HTTLMNAHSP90AA1MAPT
SCHEMBL6570523 0.75 CALM1 (0.38) HTTTRPV1NPSR1HPGDMAPK1
SCHEMBL6569068 0.75 ALOX15 (0.39) HTTLMNAMAPTALOX15SMN1; SMN2
SCHEMBL6570547 0.75 KDM4E (0.40) ALDH1A1HTTTDP1SMN1; SMN2
SCHEMBL28609664 0.75 KDM4E (0.40) ALDH1A1HTTTDP1SMN1; SMN2

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-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed