SCHEMBL8330778

SCHEMBL8330778

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ELANE P08246 4/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 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 0.90 L3MBTL1 (0.35) L3MBTL1ATMTDP1MAPTMTNR1A
SCHEMBL7782925 0.82 ALDH1A1 (0.40) L3MBTL1ATMTDP1ALDH1A1KMT2A
SCHEMBL7790615 0.80 L3MBTL1 (0.37) L3MBTL1ATMTDP1MAPTMTNR1A
SCHEMBL7792583 0.79
SCHEMBL7791424 0.79 THRB (0.40) L3MBTL1TDP1MAPTRAB9ANPC1
SCHEMBL7782933 0.77 ALDH1A1 (0.42) L3MBTL1ATMTDP1ALDH1A1KMT2A
SCHEMBL8332333 0.77 MMP8 (0.32)
SCHEMBL7928857 0.76 TDP1 (0.42) L3MBTL1ATMTDP1MAPTRAB9A
SCHEMBL7787840 0.76
SCHEMBL7791427 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981787-A INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-11-09 US disclosed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed