SCHEMBL5778364

SCHEMBL5778364

CC(=O)Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.70
MAPT P10636 8/20 0.70
THRB P10828 5/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 5/20 0.70
LMNA P02545 4/20 0.70
L3MBTL1 Q9Y468 4/20 0.70
TP53 P04637 4/20 0.70
BLM P54132 4/20 0.70
KDM4E B2RXH2 3/20 0.70
TDP1 Q9NUW8 2/20 0.70
HPGD P15428 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
ATM Q13315 2/20 0.53
RECQL P46063 1/20 0.53
PLEC Q15149 1/20 0.53

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
SCHEMBL5778209 0.88 GAA (0.53) GAAMAPTTHRBMEN1KMT2A
SCHEMBL5778363 0.84 GAA (0.56) GAAMAPTTHRBMEN1KMT2A
SCHEMBL14044002 0.83 MAPT (0.75) GAAMAPTTHRBMEN1KMT2A
SCHEMBL17653296 0.83 GAA (1.00) GAAMAPTTHRBMEN1KMT2A
SCHEMBL19194989 0.81 MAPT (0.76) GAAMAPTTHRBMEN1KMT2A
SCHEMBL1068959 0.78 MAOB (0.70) GAAALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL8167014 0.77 GAA (0.62) GAAMAPTTHRBMEN1KMT2A
SCHEMBL8167324 0.76 LMNA (0.64) GAAMAPTTHRBMEN1KMT2A
SCHEMBL2014361 0.75 GAA (0.56) GAAMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL8700241 0.75 CCR5 (0.52) GAAMAPTTHRBMEN1KMT2A

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-1694669-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP disclosed
WO-2005058844-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-30 WO disclosed