SCHEMBL12934612

SCHEMBL12934612

CCC(C)(C)C(=O)OCCOC(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 7/20 0.61
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.47
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46

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
SCHEMBL30556174 0.84 L3MBTL1 (0.76) L3MBTL1LMNATDP1ALDH1A1MAPT
SCHEMBL25009812 0.84 L3MBTL1 (0.76) L3MBTL1LMNATDP1ALDH1A1MAPT
SCHEMBL12307285 0.83 L3MBTL1 (0.54) L3MBTL1LMNATDP1ALDH1A1MAPT
SCHEMBL801373 0.83 LMNA (0.62) LMNATDP1ALDH1A1KMT2ACYP1A2
SCHEMBL774482 0.82 RIPK1 (0.54) L3MBTL1TDP1NPC1
SCHEMBL14168898 0.81 L3MBTL1 (0.55) L3MBTL1LMNATDP1ALDH1A1MAPT
SCHEMBL382067 0.81 L3MBTL1 (0.82) L3MBTL1LMNATDP1ALDH1A1MAPT
SCHEMBL12934608 0.80 P4HTM (0.47) L3MBTL1LMNAALDH1A1MAPTKMT2A
SCHEMBL15544740 0.80 L3MBTL1 (0.67) L3MBTL1LMNATDP1ALDH1A1MAPT
SCHEMBL774152 0.80 FKBP1A (0.60) L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872059-B2 Polyurethanes, acryl resins, and metal (cobalt, nickel, palladium, and/or ruthenium); engravable flexographic printing plate precursor FUJIFILM CORPORATION (JP) 2011-01-18 US disclosed
US-20080194762-A1 Polyurethanes, acryl resins, and metal (cobalt, nickel, palladium, and/or ruthenium); engravable flexographic printing plate precursor FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed