SCHEMBL7755949

SCHEMBL7755949

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HCAR2 Q8TDS4 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7758053 0.95 TSHR (0.41) ALDH1A1TSHRHCAR2NPSR1
SCHEMBL11423951 0.87 ALDH1A1 (0.36) ALDH1A1TSHRATMHPGDNPC1
SCHEMBL7757432 0.81 CA2 (0.42) ATMNPSR1L3MBTL1
SCHEMBL7757441 0.79
SCHEMBL7757437 0.79
SCHEMBL7755961 0.79
SCHEMBL7757450 0.78
SCHEMBL7757452 0.76
SCHEMBL7753374 0.75 ALDH1A1 (0.38) ALDH1A1TSHRATMHPGDSMN1; SMN2
SCHEMBL21981171 0.75

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