SCHEMBL14768415

SCHEMBL14768415

Cc1ccc(COC(=O)Cc2ccc(C)c(-c3cc(CC(=O)OCc4ccc(O)cc4)ccc3O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
YWHAG P61981 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.39
BACE1 P56817 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL14768432 0.88 ALDH1A1 (0.56) KMT2AYWHAGALDH1A1MAPK1L3MBTL1
SCHEMBL13932524 0.77 ALDH1A1 (0.66) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL14768427 0.76 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL21076155 0.75 ALDH1A1 (0.55) GAAPOLBYWHAGALDH1A1GFER
SCHEMBL24270333 0.73 L3MBTL1 (0.50) GAAKMT2AMEN1POLBYWHAG
SCHEMBL9880917 0.71 L3MBTL1 (0.79) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL29169367 0.71 L3MBTL1 (0.79) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL14768426 0.71 GAA (0.70) GAAKMT2AMEN1POLBYWHAG
SCHEMBL11633043 0.70 L3MBTL1 (0.53) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL23134309 0.70 L3MBTL1 (0.56) GAAKMT2AMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013034756-A1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2013-03-14 WO disclosed