SCHEMBL7101663

SCHEMBL7101663

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 1/20 0.42
TOP2A P11388 2/20 0.42
CHRM4 P08173 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MMP8 P22894 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7101016 0.91 NPC1 (0.48) LMNAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL7100498 0.88 MMP8 (0.49) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7099669 0.82 KMT2A (0.47) ALDH1A1KMT2AHPGD
SCHEMBL7101691 0.82 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL7100973 0.78 TSHR (0.51) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7101644 0.76 LMNA (0.46) LMNAALDH1A1SMN1; SMN2GAACHRM4
SCHEMBL28759435 0.76 LMNA (0.53) LMNAALDH1A1SMN1; SMN2GAACHRM4
SCHEMBL23869396 0.75 ALDH1A1 (0.49) LMNAALDH1A1KMT2A
SCHEMBL28924679 0.75 CES2 (0.41) LMNAALDH1A1GAATOP2ACHRM1
SCHEMBL7100929 0.73 MGAM (0.38) LMNAALDH1A1GAACHRM1

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