SCHEMBL8023362

SCHEMBL8023362

CC(O)C(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GAA P10253 1/20 0.40
RIPK1 Q13546 1/20 0.40
AOC3 Q16853 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 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
SCHEMBL24851748 0.88 KMT2A (0.52) KMT2ACYP2D6ATML3MBTL1MEN1
SCHEMBL7088204 0.85 KMT2A (0.49) KMT2ACYP2D6ATML3MBTL1MEN1
SCHEMBL8021296 0.82 KMT2A (0.46) KMT2ACYP2D6ATML3MBTL1MEN1
SCHEMBL7737367 0.81 KMT2A (0.45) KMT2ACYP2D6ATML3MBTL1AAK1
SCHEMBL127388 0.81 ATM (0.44) KMT2AATML3MBTL1MEN1ALDH1A1
SCHEMBL18207061 0.80 LMNA (0.52) KMT2ACYP2D6ATML3MBTL1ALDH1A1
SCHEMBL8593879 0.80 LMNA (0.52) KMT2ACYP2D6ATML3MBTL1ALDH1A1
SCHEMBL6287222 0.80 LMNA (0.52) KMT2ACYP2D6ATML3MBTL1ALDH1A1
SCHEMBL2289610 0.80 APP (0.47) KMT2AATML3MBTL1MEN1ALDH1A1
SCHEMBL28732213 0.80 KMT2A (0.78) KMT2ACYP2D6MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774452-B1 Optically active compounds having plural chiral centers and the production thereof CHISSO CORP (JP) 2000-01-26 EP disclosed
EP-0428392-B1 Processes for the preparation of optically active compounds having plural chiral centers CHISSO CORP (JP) 1998-05-27 EP disclosed
EP-0774452-A1 Optically active compounds having plural chiral centers and the production thereof Chisso Corporation (JP) 1997-05-21 EP disclosed
US-5574182-A HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION CHISSO CORPORATION (JP) 1996-11-12 US disclosed
US-5411877-A Esterification CHISSO CORPORATION (JP) 1995-05-02 US disclosed
US-5348870-A Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization CHISSO CORPORATION (JP) 1994-09-20 US disclosed
EP-0428392-A2 Optically active compounds having plural chiral centers and the production thereof Chisso Corporation (JP) 1991-05-22 EP disclosed