SCHEMBL7782925

SCHEMBL7782925

CC(CC(C)(C)OOC(=O)C(=O)O)OC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CTSS P25774 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL7782933 0.95 ALDH1A1 (0.42) ALDH1A1CTSSAAK1KMT2AMAPK1
SCHEMBL7787840 0.79
SCHEMBL7921579 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7791424 0.77 THRB (0.40) ALDH1A1KMT2AMAPK1L3MBTL1TDP1
SCHEMBL7792592 0.76 TDP1 (0.31) TDP1
SCHEMBL7791435 0.76 ALDH1A1 (0.33) ALDH1A1ATMTSHR
SCHEMBL7921568 0.75 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19500246 0.74 ALDH1A1 (0.50) ALDH1A1CTSSKMT2AMAPK1L3MBTL1
SCHEMBL7792599 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7782921 0.74 TSHR (0.39) ALDH1A1TSHR

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 6 patents. 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 claimed
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 claimed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP claimed
EP-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP disclosed
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