SCHEMBL7944692

SCHEMBL7944692

CC(C)(C)CC(C)(C)c1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
KMT2A Q03164 4/20 0.44
VCAM1 P19320 3/20 0.40
MEN1 O00255 3/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
GSR P00390 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GMNN O75496 1/20 0.38
GABBR2 O75899 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL887482 0.91 GAA (0.55) GAAKMT2AVCAM1MEN1ALOX5
SCHEMBL7940280 0.89 ALOX5 (0.39) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL7945011 0.89 GAA (0.48) GAAKMT2AVCAM1MEN1ALOX5
SCHEMBL7943346 0.88 ALOX5 (0.38) GAAKMT2AALOX5SMN1; SMN2CYP3A4
SCHEMBL7944694 0.86 GAA (0.46) GAAKMT2AVCAM1MEN1ALOX5
SCHEMBL7933616 0.86 GAA (0.49) GAAKMT2AVCAM1MEN1ALDH1A1
SCHEMBL7942356 0.86 GAA (0.52) GAAKMT2AVCAM1MEN1ALOX5
Ethylene Glycol SCHEMBL20954190 0.86 GAA (0.52) GAAKMT2AVCAM1MEN1ALOX5
SCHEMBL7944894 0.86 ALOX5 (0.38) GAAKMT2AVCAM1ALOX5ALDH1A1
SCHEMBL208761 0.85 GAA (0.60) GAAKMT2AVCAM1MEN1ALOX5

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed