SCHEMBL3662344

SCHEMBL3662344

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.47
CDC25B P30305 1/20 0.47
SLC15A1 P46059 2/20 0.46
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
NOTUM Q6P988 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 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
SCHEMBL3662342 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL28277844 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL30280767 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL6427243 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL4536087 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL4536083 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL18953153 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL17726208 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL8327125 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL17726803 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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
EP-2234615-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth LLC (US) 2010-10-06 EP disclosed
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed