SCHEMBL6427243

SCHEMBL6427243

CC(=O)C(CCC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
CDC25B P30305 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC15A1 P46059 2/20 0.45
ELANE P08246 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCC3 O15438 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL28277844 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL10092579 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL3662344 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL3662342 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL30280767 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL4890742 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL1195221 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2ALMNA
SCHEMBL8989009 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL27927265 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL28531197 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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-20050221318-A1 Building block forming a c-c bond upon reaction NUEVOLUTION A/S (DK) 2005-10-06 US disclosed
EP-1490384-A2 A BUILDING BLOCK FORMING A C-C BOND UPON REACTION Nuevolution A/S (DK) 2004-12-29 EP disclosed
WO-2003078050-A2 A BUILDING BLOCK FORMING A C-C BOND UPON REACTION NUEVOLUTION A/S (DK) 2003-09-25 WO disclosed