SCHEMBL6578466

SCHEMBL6578466

CCOC(=O)CC(=O)c1c(C)c(F)c(F)c(C)c1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS1R3 Q7RTX0 8/20 0.38
TAS1R1 Q7RTX1 8/20 0.38
TAS1R2 Q8TE23 8/20 0.38
NLRP3 Q96P20 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8111865 0.93 GAA (0.48) GAAMGAMSIMGAM2MAPT
SCHEMBL19729296 0.87 GAA (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL19728828 0.87 GAA (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL19728376 0.87 GAA (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL7011293 0.87 GAA (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL1186761 0.83 GAA (0.54) GAAMGAMSIMGAM2MAPT
SCHEMBL4671913 0.82 MAPT (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL5704377 0.81 GAA (0.47) GAAMGAMSIMGAM2MAPT
SCHEMBL5502158 0.80 MEN1 (0.43) GAAMGAMSIMGAM2MAPT
Acetic Acid SCHEMBL8871374 0.79 GAA (0.48) GAAMGAMSIMGAM2MAPT

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
EP-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed