SCHEMBL6503265

SCHEMBL6503265

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1cc(-c2ccccc2Cl)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.56
ALDH1A1 P00352 9/20 0.56
MAPT P10636 8/20 0.56
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 7/20 0.56
NPSR1 Q6W5P4 4/20 0.55
LMNA P02545 4/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL5552687 0.89 HPGD (0.53) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL5549700 0.87 HPGD (0.51) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6496490 0.82 POLB (0.65) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL13433238 0.78 PPARG (0.58) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6506017 0.78 PPARA (0.51) PPARAPPARD
SCHEMBL13433242 0.78 HPGD (0.56) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6504042 0.77 PPARA (0.56) PPARAPPARD
SCHEMBL6060870 0.77 PPARA (0.51) PPARAPPARD
SCHEMBL6060873 0.77 PPARA (0.51) PPARAPPARD
SCHEMBL5037078 0.77 HPGD (0.51) HPGDALDH1A1MAPTKDM4EHSD17B10

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed