SCHEMBL6532218

SCHEMBL6532218

COC(=O)C1C(COC(c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SLC6A11 P48066 5/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A12 P48065 1/20 0.38

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
SCHEMBL6412669 0.95 SLC6A11 (0.43) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6407236 0.95 SLC6A11 (0.43) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6407457 0.89 ALDH1A1 (0.37) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6411371 0.89 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL6411212 0.86 HTT (0.41) ALDH1A1LMNAALOX15HSD17B10MEN1
SCHEMBL6408329 0.85 SLC6A11 (0.47) MEN1KMT2ASLC6A11TP53CYP1A2
SCHEMBL6408835 0.85 SLC6A11 (0.41) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6407137 0.85 SLC6A1 (0.41) ALDH1A1HSD17B10MEN1KMT2ASLC6A11
SCHEMBL6414843 0.85 SLC6A11 (0.41) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6412660 0.85 SLC6A11 (0.41) ALDH1A1MEN1KMT2ANPC1EPHX2

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-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 EP disclosed