SCHEMBL7790615

SCHEMBL7790615

CC(CC(C)(C)OC(=O)C(=O)OO)OC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 3/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7790610 0.88 L3MBTL1 (0.35) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL7759353 0.81 L3MBTL1 (0.38) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL8330778 0.80 L3MBTL1 (0.37) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL7783004 0.75 MMP8 (0.33)
SCHEMBL27393432 0.73 TDP1 (0.47) L3MBTL1ATMALDH1A1GAAELANE
SCHEMBL13834164 0.70 GAA (0.50) L3MBTL1ATMNPC1RAB9AALDH1A1
SCHEMBL6070740 0.70 L3MBTL1 (0.47) L3MBTL1ATMRAB9AALDH1A1TSHR
SCHEMBL25639505 0.70 ELANE (0.38) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL7782915 0.70 HTT (0.37) SMN1; SMN2
SCHEMBL4577204 0.68 CYP1A2 (0.49) L3MBTL1POLBCYP2D6NPC1RAB9A

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-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP disclosed