SCHEMBL8947878

SCHEMBL8947878

COc1c2oc(=O)cc(C)c2c(C)c2c(CCl)coc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.42
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
KCNA3 P22001 2/20 0.40
MAOA P21397 3/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
DYRK1A Q13627 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5086676 0.85 PON1 (0.47) PON1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3939905 0.72 KDM4E (0.43) PON1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4229673 0.72 KDM4E (0.43) PON1KDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL1002717 0.71 KDM4E (0.42) PON1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7869275 0.70 KDM4E (0.43) PON1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4975144 0.68 KDM4E (0.37) PON1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9058002 0.68 KDM4E (0.47) PON1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL12762292 0.67 KCNA3 (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL8014647 0.67 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL8011917 0.66 KDM4E (0.37) PON1KDM4EALDH1A1HSD17B10HPGD

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
US-5582994-A CONTACTING SAMPLES PRIOR TO TESTING TO INACTIVATE PATHOGENS STERITECH, INC. (US) 1996-12-10 US disclosed