SCHEMBL7096992

SCHEMBL7096992

CCOC(=O)CC(=O)C(F)CC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 2/20 0.34
SOAT1 P35610 1/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 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
SCHEMBL7097454 0.84 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7100999 0.84 MGAM (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7099707 0.83 MGAM (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL18890 0.83 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7101656 0.82 SMN1; SMN2 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7100415 0.81 FAAH (0.45) ALDH1A1ATMTSHR
SCHEMBL6244751 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Silver SCHEMBL30466756 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17275135 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29010309 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 CN disclosed
EP-1038861-B1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2003-09-03 EP disclosed
US-6593488-B1 Reacting 2-fluorocarboxylate with carboxylate UBE INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed