SCHEMBL7756820

SCHEMBL7756820

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SYK P43405 1/20 0.40
CTSK P43235 5/20 0.39
CTSL P07711 4/20 0.39
CTSS P25774 3/20 0.39
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
SLC15A1 P46059 1/20 0.37
CTSB P07858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7759353 0.82 L3MBTL1 (0.38) ALDH1A1KMT2AL3MBTL1TDP1MEN1
SCHEMBL1680118 0.78 ALDH1A1 (0.56) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL7782933 0.76 ALDH1A1 (0.42) ALDH1A1SYKCTSLCTSSKMT2A
SCHEMBL7792599 0.75 ALDH1A1 (0.53) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL7757441 0.75
SCHEMBL7755961 0.75
SCHEMBL7759308 0.75 ADRB2 (0.38) ALDH1A1KMT2AL3MBTL1TDP1SMN1; SMN2
SCHEMBL7782925 0.74 ALDH1A1 (0.40) ALDH1A1SYKCTSLCTSSKMT2A
SCHEMBL7757450 0.74
SCHEMBL20111501 0.73 ALDH1A1 (0.55) ALDH1A1SYKCTSSKMT2AMAPK1

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