SCHEMBL7101644

SCHEMBL7101644

CCCOC(=O)C(C)C(=O)C(F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CHRM1 P11229 7/20 0.44
CHRM3 P20309 6/20 0.44
CHRM4 P08173 5/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 5/20 0.42
CHRM5 P08912 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL7101022 0.91 TSHR (0.46) LMNACHRM1CHRM3CHRM4ALDH1A1
SCHEMBL7096258 0.88 MMP8 (0.49) LMNACYP1A2SMN1; SMN2CYP3A4GAA
SCHEMBL7100984 0.83 ALDH1A1 (0.47) LMNACHRM1CHRM3CHRM4ALDH1A1
SCHEMBL7096973 0.81 KMT2A (0.55) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL7096527 0.80 TSHR (0.41) ALDH1A1SMN1; SMN2CYP3A4GAAKMT2A
SCHEMBL4192926 0.77 LMNA (0.55) LMNACHRM1CHRM3CHRM4ALDH1A1
SCHEMBL28003749 0.76 TSHR (0.53) LMNACHRM1CHRM3CHRM4ALDH1A1
SCHEMBL7101663 0.76 LMNA (0.46) LMNACHRM1CHRM3CHRM4ALDH1A1
SCHEMBL4195828 0.75 ALDH1A1 (0.58) LMNACHRM1CHRM3CHRM4ALDH1A1
SCHEMBL7101682 0.75 ALDH1A1 (0.36) LMNACHRM1ALDH1A1MAPTESR1

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