SCHEMBL7096973

SCHEMBL7096973

COC(=O)C(C)C(=O)C(F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KLK7 P49862 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7096527 0.85 TSHR (0.41) KMT2APOLBALDH1A1KEAP1NFE2L2
SCHEMBL2401919 0.83 KMT2A (0.64) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL2078143 0.83 KMT2A (0.64) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL7096258 0.83 MMP8 (0.49) KMT2AMEN1LMNATSHRGAA
SCHEMBL7100984 0.82 ALDH1A1 (0.47) KMT2APTGS1PTGS2POLBALDH1A1
SCHEMBL7101644 0.81 LMNA (0.46) KMT2AALDH1A1LMNATSHRMAPT
SCHEMBL28273233 0.79 KMT2A (0.58) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL7101022 0.79 TSHR (0.46) POLBALDH1A1LMNATSHRL3MBTL1
SCHEMBL27708803 0.78 KMT2A (0.53) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL13379411 0.77 KEAP1 (0.44) KMT2APOLBALDH1A1LMNAKEAP1

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-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