SCHEMBL7753374

SCHEMBL7753374

CCCCOC(=O)C(=O)OC(C)(C)CCOOC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
TSHR P16473 5/20 0.36
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1H2 P55055 1/20 0.30
RNASEL Q05823 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 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
SCHEMBL8329500 0.79
SCHEMBL7758017 0.79 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL198658 0.78 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7753307 0.78 TDP1 (0.31) TSHRTDP1SMN1; SMN2
SCHEMBL7757402 0.78
SCHEMBL7753319 0.77
SCHEMBL7757407 0.76
SCHEMBL7755949 0.75 ALDH1A1 (0.35) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6661518 0.72 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7921574 0.72 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed