SCHEMBL6940039

SCHEMBL6940039

CCCCC(OC)(OC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.33
FDPS P14324 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29014272 0.92 MEN1 (0.45) EPHX1KMT2AL3MBTL1MEN1MAPT
SCHEMBL6929076 0.80 TDP1 (0.36) KMT2AL3MBTL1MEN1TDP1ALDH1A1
SCHEMBL28188434 0.78 FAAH (0.34) EPHX1KMT2AMEN1FDPSALDH1A1
SCHEMBL27916266 0.77 CA1 (0.42) EPHX1KMT2AL3MBTL1MEN1MAPT
SCHEMBL28730000 0.77 EPHX1 (0.43) EPHX1KMT2AL3MBTL1MEN1MAPT
SCHEMBL15233853 0.77 EPHX1 (0.39) EPHX1KMT2AL3MBTL1MEN1MAPT
SCHEMBL5668099 0.77 DGAT1 (0.36) TDP1ALDH1A1POLB
SCHEMBL7150979 0.76 MEN1 (0.46) EPHX1KMT2AL3MBTL1MEN1MAPT
SCHEMBL5838642 0.76 DGAT1 (0.32)
SCHEMBL9419471 0.76 CA1 (0.41) EPHX1KMT2AL3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622577-A Radiation-sensitive resin composition, spacer for liquid crystal display element, protective film, and method for forming same JSR CORP 2010-01-06 CN disclosed
EP-1121351-A4 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL MYERS SQUIBB CO (US) 2003-05-02 EP disclosed
EP-1121351-A2 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-08 EP disclosed
WO-2000003981-A2 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-27 WO disclosed