SCHEMBL7790610

SCHEMBL7790610

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ELANE P08246 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8330778 0.90 L3MBTL1 (0.37) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL7790615 0.88 L3MBTL1 (0.37) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL7759353 0.81 L3MBTL1 (0.38) L3MBTL1ATMMTNR1AMTNR1BNPC1
SCHEMBL7791424 0.80 THRB (0.40) L3MBTL1NPC1RAB9AALDH1A1MEN1
SCHEMBL7782933 0.78 ALDH1A1 (0.42) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL7928857 0.77 TDP1 (0.42) L3MBTL1ATMNPC1RAB9AALDH1A1
SCHEMBL7783001 0.77 MMP8 (0.31)
SCHEMBL7791427 0.75
SCHEMBL7783021 0.74 ALDH1A1 (0.30) ALDH1A1TDP1TSHRHSD17B10
SCHEMBL7782925 0.73 ALDH1A1 (0.40) L3MBTL1ATMALDH1A1MEN1KMT2A

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