SCHEMBL6470018

SCHEMBL6470018

CCOC(=O)C(CC(=O)OC)(CC(=O)OC)C(C)=O.CCOC(=O)CCC(C(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 2/20 0.35
THRB P10828 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPRB P23467 1/20 0.32
ACP1 P24666 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1406640 0.85 PKM (0.42) MEN1KMT2ATSHRPKMTHRB
SCHEMBL1406411 0.85 CYP1A2 (0.42) MEN1KMT2ATSHRPKMTHRB
SCHEMBL24228618 0.82 MEN1 (0.43) MEN1KMT2ATSHRPKMTHRB
SCHEMBL1406452 0.82 CYP1A2 (0.42) MEN1KMT2ATSHRPKMTHRB
SCHEMBL14600833 0.80 MEN1 (0.47) MEN1KMT2APKMTHRBGAA
SCHEMBL1406293 0.77 MEN1 (0.44) MEN1KMT2ATSHRPKMTHRB
SCHEMBL16217676 0.77 MEN1 (0.52) MEN1KMT2ATSHRPKMTHRB
SCHEMBL1406264 0.77 CYP1A2 (0.44) MEN1KMT2ATSHRPKMTHRB
SCHEMBL1406291 0.75 CYP1A2 (0.48) MEN1KMT2ATSHRPKMTHRB
SCHEMBL7860159 0.75 MEN1 (0.57) MEN1KMT2ATSHRPKMTHRB

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-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 US disclosed
EP-1490412-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003082929-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-09 WO disclosed