SCHEMBL7100498

SCHEMBL7100498

CCOC(=O)CC(=O)C(F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
PPID Q08752 1/20 0.43
MDM4 O15151 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PIN1 Q13526 1/20 0.41

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
SCHEMBL7101663 0.88 LMNA (0.46) MMP8GAASMN1; SMN2KMT2ALMNA
SCHEMBL7101016 0.85 NPC1 (0.48) CYP3A4SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL7099669 0.85 KMT2A (0.47) KMT2AMEN1TSHRALDH1A1
SCHEMBL7101691 0.84 ALDH1A1 (0.46) CYP2D6SMN1; SMN2KMT2ALMNATSHR
SCHEMBL6432556 0.83 CYP2D6 (0.53) MMP8CYP3A4CYP2D6CYP2C19GAA
SCHEMBL5751142 0.82 MMP8 (0.50) MMP8CYP3A4CYP2D6CYP2C19GAA
SCHEMBL27557939 0.82 MMP8 (0.50) MMP8CYP3A4CYP2D6CYP2C19GAA
SCHEMBL4290959 0.81 MMP8 (0.56) MMP8CYP3A4CYP2C19GAASMN1; SMN2
SCHEMBL324209 0.81 MMP8 (0.56) MMP8CYP3A4CYP2C19GAASMN1; SMN2
SCHEMBL2400228 0.81 MMP8 (0.56) MMP8CYP3A4CYP2C19GAASMN1; SMN2

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