SCHEMBL7933803

SCHEMBL7933803

CC(C)(C)c1cc(CCC(=O)OCCO)cc(C2CCCCC2)c1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 4/20 0.41
ALOX5 P09917 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APP P05067 1/20 0.34
VCAM1 P19320 1/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL9068858 0.92 KMT2A (0.43) KMT2AMEN1GAAALOX5PKM
SCHEMBL7941423 0.88 ALDH1A1 (0.46) KMT2AMEN1ALOX5ALDH1A1
Triethylene Glycol SCHEMBL9068864 0.86 KMT2A (0.40) KMT2AMEN1GAAPKMHTT
SCHEMBL7943145 0.85 ALOX5 (0.41) KMT2AMEN1ALOX5ALDH1A1TDP1
SCHEMBL887482 0.84 GAA (0.55) KMT2AMEN1GAAALOX5HTT
SCHEMBL7944855 0.84 ALOX5 (0.40) KMT2AMEN1ALOX5ALDH1A1TDP1
SCHEMBL7796368 0.83 KMT2A (0.47) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL6567025 0.83 ALDH1A1 (0.42) KMT2AMEN1GAAHTTALDH1A1
Cyclohexane SCHEMBL676099 0.83 GAA (0.56) KMT2AMEN1GAAALOX5PKM
SCHEMBL4045061 0.83 ALOX5 (0.46) KMT2AMEN1ALOX5ALDH1A1TDP1

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